3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide

C109H127Cl2F4N15O11 — CID 161023173

IUPAC3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(F)c2)CC1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCNCC2)c(F)c1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/2C22H26ClN3O2.C22H26FN3O3.C22H26FN3O2.C21H23F2N3O2/c1-25-12-14-26(15-13-25)11-5-10-21(27)19-8-2-3-9-20(19)24-22(28)17-6-4-7-18(23)16-17;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;1-29-16-8-9-17(19(23)15-16)22(28)25-20-6-3-2-5-18(20)21(27)7-4-12-26-13-10-24-11-14-26;1-25-12-14-26(15-13-25)11-5-10-21(27)19-8-2-3-9-20(19)24-22(28)17-6-4-7-18(23)16-17;22-15-7-8-16(18(23)14-15)21(28)25-19-5-2-1-4-17(19)20(27)6-3-11-26-12-9-24-10-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,28);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28);2-3,5-6,8-9,15,24H,4,7,10-14H2,1H3,(H,25,28);2-4,6-9,16H,5,10-15H2,1H3,(H,24,28);1-2,4-5,7-8,14,24H,3,6,9-13H2,(H,25,28)
InChIKeyTYQIOKFDXNYXAK-UHFFFAOYSA-N
MW1970.21 g/mol
LogP16.93
Rot. Bonds36

About 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide

3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide (PubChem CID 161023173) has the molecular formula C109H127Cl2F4N15O11 and a molecular weight of 1970.21 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide
PubChem CID161023173
Molecular FormulaC109H127Cl2F4N15O11
Molecular Weight1970.21 g/mol
Exact Mass1967.92
IUPAC Name3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(F)c2)CC1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCNCC2)c(F)c1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1ccc(F)cc1F
InChIInChI=1S/2C22H26ClN3O2.C22H26FN3O3.C22H26FN3O2.C21H23F2N3O2/c1-25-12-14-26(15-13-25)11-5-10-21(27)19-8-2-3-9-20(19)24-22(28)17-6-4-7-18(23)16-17;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;1-29-16-8-9-17(19(23)15-16)22(28)25-20-6-3-2-5-18(20)21(27)7-4-12-26-13-10-24-11-14-26;1-25-12-14-26(15-13-25)11-5-10-21(27)19-8-2-3-9-20(19)24-22(28)17-6-4-7-18(23)16-17;22-15-7-8-16(18(23)14-15)21(28)25-19-5-2-1-4-17(19)20(27)6-3-11-26-12-9-24-10-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,28);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28);2-3,5-6,8-9,15,24H,4,7,10-14H2,1H3,(H,25,28);2-4,6-9,16H,5,10-15H2,1H3,(H,24,28);1-2,4-5,7-8,14,24H,3,6,9-13H2,(H,25,28)
InChIKeyTYQIOKFDXNYXAK-UHFFFAOYSA-N
XLogP16.93
TPSA290.06 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001970.21
LogP ≤ 516.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide (CID 161023173) is 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide is CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(F)c2)CC1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCN2CCNCC2)c(F)c1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1ccc(F)cc1F.
What is the InChIKey of 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide?
The InChIKey is TYQIOKFDXNYXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26ClN3O2.C22H26FN3O3.C22H26FN3O2.C21H23F2N3O2/c1-25-12-14-26(15-13-25)11-5-10-21(27)19-8-2-3-9-20(19)24-22(28)17-6-4-7-18(23)16-17;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;1-29-16-8-9-17(19(23)15-16)22(28)25-20-6-3-2-5-18(20)21(27)7-4-12-26-13-10-24-11-14-26;1-25-12-14-26(15-13-25)11-5-10-21(27)19-8-2-3-9-20(19)24-22(28)17-6-4-7-18(23)16-17;22-15-7-8-16(18(23)14-15)21(28)25-19-5-2-1-4-17(19)20(27)6-3-11-26-12-9-24-10-13-26/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,28);2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,24,28);2-3,5-6,8-9,15,24H,4,7,10-14H2,1H3,(H,25,28);2-4,6-9,16H,5,10-15H2,1H3,(H,24,28);1-2,4-5,7-8,14,24H,3,6,9-13H2,(H,25,28).
What are the key properties of 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide?
3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide has a molecular weight of 1970.21 g/mol, XLogP of 16.93, 36 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;4-chloro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide;2,4-difluoro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-fluoro-4-methoxy-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;3-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]benzamide is sourced from PubChem (CID 161023173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).