2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide

C102H108F7N9O12 — CID 162046471

IUPAC2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2F)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1.COc1cccc(C(=O)CCCCN2CCOCC2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H27NO3.C27H30N2O4.C23H25F4N3O3.C23H26F3N3O2/c1-33-27-17-9-15-25(26(31)16-8-5-12-21-10-3-2-4-11-21)28(27)30-29(32)24-19-18-22-13-6-7-14-23(22)20-24;1-32-25-11-6-9-23(24(30)10-4-5-14-29-15-17-33-18-16-29)26(25)28-27(31)22-13-12-20-7-2-3-8-21(20)19-22;1-29-11-13-30(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/h2-4,6-7,9-11,13-15,17-20H,5,8,12,16H2,1H3,(H,30,32);2-3,6-9,11-13,19H,4-5,10,14-18H2,1H3,(H,28,31);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,28,32);2-4,6-9,16H,5,10-15H2,1H3,(H,27,31)
InChIKeyYXYLBTWSWITFGQ-UHFFFAOYSA-N
MW1785.02 g/mol
LogP19.84
Rot. Bonds33

About 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide

2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 162046471) has the molecular formula C102H108F7N9O12 and a molecular weight of 1785.02 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID162046471
Molecular FormulaC102H108F7N9O12
Molecular Weight1785.02 g/mol
Exact Mass1783.80
IUPAC Name2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2F)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1.COc1cccc(C(=O)CCCCN2CCOCC2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H27NO3.C27H30N2O4.C23H25F4N3O3.C23H26F3N3O2/c1-33-27-17-9-15-25(26(31)16-8-5-12-21-10-3-2-4-11-21)28(27)30-29(32)24-19-18-22-13-6-7-14-23(22)20-24;1-32-25-11-6-9-23(24(30)10-4-5-14-29-15-17-33-18-16-29)26(25)28-27(31)22-13-12-20-7-2-3-8-21(20)19-22;1-29-11-13-30(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/h2-4,6-7,9-11,13-15,17-20H,5,8,12,16H2,1H3,(H,30,32);2-3,6-9,11-13,19H,4-5,10,14-18H2,1H3,(H,28,31);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,28,32);2-4,6-9,16H,5,10-15H2,1H3,(H,27,31)
InChIKeyYXYLBTWSWITFGQ-UHFFFAOYSA-N
XLogP19.84
TPSA237.80 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001785.02
LogP ≤ 519.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

1-(2,4-difluoroanilino)-6-ethoxy-7-(4-(111C)methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 168275619
(2-{6-Benzyloxy-1-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-naphthalen-2-yl}-5-fluoro-phenyl)-carbamic acid tert-butyl ester
CID 11158169
19-fluoro-18-[3-(4-methylpiperazin-1-yl)propylamino]-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide
CID 58744135
19-Fluoro-23-(4-methylpiperazine-1-carbonyl)-18-(3-morpholin-4-ylpropylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-5,12,22-trione
CID 58744623
19-fluoro-18-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide
CID 58744830
19-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-18-(3-morpholin-4-ylpropylamino)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide
CID 58744834
19-fluoro-18-(4-methylpiperazin-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide
CID 58745007
19-Fluoro-23-(4-methylpiperazine-1-carbonyl)-18-[3-(4-methylpiperazin-1-yl)propylamino]-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-5,12,22-trione
CID 58745035
18,19-difluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide
CID 58745094
19-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-18-[3-(4-methylpiperazin-1-yl)propylamino]-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide
CID 58745196
3-fluoro-N-[5-methoxy-2-(6-methoxynaphthalen-2-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 66626199
N-[2-[methyl-[4-methyl-2-[6-oxo-5-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]hex-5-enoxy]phenyl]carbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 88368371

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide (CID 162046471) is 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide is CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2F)CC1.CN1CCN(CCCC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)CC1.COc1cccc(C(=O)CCCCN2CCOCC2)c1NC(=O)c1ccc2ccccc2c1.COc1cccc(C(=O)CCCCc2ccccc2)c1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YXYLBTWSWITFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3.C27H30N2O4.C23H25F4N3O3.C23H26F3N3O2/c1-33-27-17-9-15-25(26(31)16-8-5-12-21-10-3-2-4-11-21)28(27)30-29(32)24-19-18-22-13-6-7-14-23(22)20-24;1-32-25-11-6-9-23(24(30)10-4-5-14-29-15-17-33-18-16-29)26(25)28-27(31)22-13-12-20-7-2-3-8-21(20)19-22;1-29-11-13-30(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/h2-4,6-7,9-11,13-15,17-20H,5,8,12,16H2,1H3,(H,30,32);2-3,6-9,11-13,19H,4-5,10,14-18H2,1H3,(H,28,31);2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,28,32);2-4,6-9,16H,5,10-15H2,1H3,(H,27,31).
What are the key properties of 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide?
2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1785.02 g/mol, XLogP of 19.84, 33 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethoxy)benzamide;N-[2-methoxy-6-(5-morpholin-4-ylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-methoxy-6-(5-phenylpentanoyl)phenyl]naphthalene-2-carboxamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 162046471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).