4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide

C112H128F11N15O13 — CID 159608634

IUPAC4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2F)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1.COc1ccc(C(=O)Nc2ccncc2C(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C23H25F4N3O3.2C23H26F3N3O2.C22H26FN3O2.C21H25N3O4/c1-29-11-13-30(14-12-29)10-4-7-21(31)18-5-2-3-6-20(18)28-22(32)17-9-8-16(15-19(17)24)33-23(25,26)27;1-28-12-14-29(15-13-28)11-5-10-21(30)19-8-2-3-9-20(19)27-22(31)17-6-4-7-18(16-17)23(24,25)26;1-28-13-15-29(16-14-28)12-4-7-21(30)19-5-2-3-6-20(19)27-22(31)17-8-10-18(11-9-17)23(24,25)26;1-25-13-15-26(16-14-25)12-4-7-21(27)19-5-2-3-6-20(19)24-22(28)17-8-10-18(23)11-9-17;1-27-17-6-4-16(5-7-17)21(26)23-19-8-9-22-15-18(19)20(25)3-2-10-24-11-13-28-14-12-24/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,28,32);2-4,6-9,16H,5,10-15H2,1H3,(H,27,31);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,27,31);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28);4-9,15H,2-3,10-14H2,1H3,(H,22,23,26)
InChIKeyMMJXZUHLSKNYQL-UHFFFAOYSA-N
MW2101.33 g/mol
LogP18.45
Rot. Bonds37

About 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide

4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 159608634) has the molecular formula C112H128F11N15O13 and a molecular weight of 2101.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID159608634
Molecular FormulaC112H128F11N15O13
Molecular Weight2101.33 g/mol
Exact Mass2099.96
IUPAC Name4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2F)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1.COc1ccc(C(=O)Nc2ccncc2C(=O)CCCN2CCOCC2)cc1
InChIInChI=1S/C23H25F4N3O3.2C23H26F3N3O2.C22H26FN3O2.C21H25N3O4/c1-29-11-13-30(14-12-29)10-4-7-21(31)18-5-2-3-6-20(18)28-22(32)17-9-8-16(15-19(17)24)33-23(25,26)27;1-28-12-14-29(15-13-28)11-5-10-21(30)19-8-2-3-9-20(19)27-22(31)17-6-4-7-18(16-17)23(24,25)26;1-28-13-15-29(16-14-28)12-4-7-21(30)19-5-2-3-6-20(19)27-22(31)17-8-10-18(11-9-17)23(24,25)26;1-25-13-15-26(16-14-25)12-4-7-21(27)19-5-2-3-6-20(19)24-22(28)17-8-10-18(23)11-9-17;1-27-17-6-4-16(5-7-17)21(26)23-19-8-9-22-15-18(19)20(25)3-2-10-24-11-13-28-14-12-24/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,28,32);2-4,6-9,16H,5,10-15H2,1H3,(H,27,31);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,27,31);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28);4-9,15H,2-3,10-14H2,1H3,(H,22,23,26)
InChIKeyMMJXZUHLSKNYQL-UHFFFAOYSA-N
XLogP18.45
TPSA300.59 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002101.33
LogP ≤ 518.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

US11174250, Example 52
CID 137376354
N-[(3R,4R)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 117796125
N-[2-[4-[[2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-4-[3-[[6-methoxy-4-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]piperazin-1-yl]-5-[2-fluoro-5-(3-oxa-6-azabicyclo[3.1.1]heptan-6-ylmethyl)phenyl]phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 145360213
N-[2-[4-[[5-fluoro-2-[(4-fluoropiperidin-1-yl)methyl]-4-[3-[[6-methoxy-4-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-(4-methylpiperazin-1-yl)phenyl]phenyl]methyl]piperazin-1-yl]-5-[2-fluoro-5-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 145360220
1-[5-[4-[1-[[4-(2-Butyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-difluorophenyl]methyl]piperidin-4-yl]oxypiperidine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
CID 156187172
1-Benzyl-4-methylpiperazine;cyclohexyl-(1-methylpiperidin-4-yl)methanone;1-(4-fluorophenyl)-4-methylpiperazine;4-(4-fluorophenyl)-1-methylpiperidine;1-(4-methoxyphenyl)-4-methylpiperazine;4-(4-methoxyphenyl)-1-methylpiperidine;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;1-[4-(4-methylpiperazin-1-yl)phenyl]ethanone;(1-methylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methylpiperidin-4-yl)-piperidin-1-ylmethanone;4-(1-methylpiperidin-4-yl)pyridine;1-methyl-4-pyridin-4-ylpiperazine;2,2,2-trifluoro-1-(1-methylpiperidin-4-yl)ethanone
CID 157467570
(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 158137649
4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]phenol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;2-(4-methoxyphenyl)-N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide;4-methoxy-N-[4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]benzamide
CID 158473989
(4-Ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 158536473
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)carbamoylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide;N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(phenylcarbamoylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 158884656
(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 158945723
bis((2R)-N-[5-[2-[6-(4-aminophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide);methane
CID 159604080

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide (CID 159608634) is 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide is CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2F)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1.COc1ccc(C(=O)Nc2ccncc2C(=O)CCCN2CCOCC2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MMJXZUHLSKNYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N3O3.2C23H26F3N3O2.C22H26FN3O2.C21H25N3O4/c1-29-11-13-30(14-12-29)10-4-7-21(31)18-5-2-3-6-20(18)28-22(32)17-9-8-16(15-19(17)24)33-23(25,26)27;1-28-12-14-29(15-13-28)11-5-10-21(30)19-8-2-3-9-20(19)27-22(31)17-6-4-7-18(16-17)23(24,25)26;1-28-13-15-29(16-14-28)12-4-7-21(30)19-5-2-3-6-20(19)27-22(31)17-8-10-18(11-9-17)23(24,25)26;1-25-13-15-26(16-14-25)12-4-7-21(27)19-5-2-3-6-20(19)24-22(28)17-8-10-18(23)11-9-17;1-27-17-6-4-16(5-7-17)21(26)23-19-8-9-22-15-18(19)20(25)3-2-10-24-11-13-28-14-12-24/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,28,32);2-4,6-9,16H,5,10-15H2,1H3,(H,27,31);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,27,31);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28);4-9,15H,2-3,10-14H2,1H3,(H,22,23,26).
What are the key properties of 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide?
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 2101.33 g/mol, XLogP of 18.45, 37 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;4-methoxy-N-[3-(4-morpholin-4-ylbutanoyl)-4-pyridinyl]benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159608634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).