2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide

C105H112Cl2F2N10O14 — CID 158602210

IUPAC2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide
SMILESCN(C(=O)c1ccccc1F)c1ccccc1C(=O)O.COc1ccc(C(=O)Nc2cccc(F)c2C(=O)CCCN2CCN(C)CC2)cc1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCCc2ccccc2)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cccc(Cl)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C25H25NO3.C23H28FN3O3.C21H24ClN3O2.C21H23ClN2O3.C15H12FNO3/c1-29-21-17-15-20(16-18-21)25(28)26-23-13-7-6-12-22(23)24(27)14-8-5-11-19-9-3-2-4-10-19;1-26-13-15-27(16-14-26)12-4-7-21(28)22-19(24)5-3-6-20(22)25-23(29)17-8-10-18(30-2)11-9-17;22-17-6-3-5-16(15-17)21(27)24-19-8-2-1-7-18(19)20(26)9-4-12-25-13-10-23-11-14-25;22-18-8-3-1-6-16(18)21(26)23-19-9-4-2-7-17(19)20(25)10-5-11-24-12-14-27-15-13-24;1-17(13-9-5-3-7-11(13)15(19)20)14(18)10-6-2-4-8-12(10)16/h2-4,6-7,9-10,12-13,15-18H,5,8,11,14H2,1H3,(H,26,28);3,5-6,8-11H,4,7,12-16H2,1-2H3,(H,25,29);1-3,5-8,15,23H,4,9-14H2,(H,24,27);1-4,6-9H,5,10-15H2,(H,23,26);2-9H,1H3,(H,19,20)
InChIKeyHVTVCIREICKDEI-UHFFFAOYSA-N
MW1847.01 g/mol
LogP18.99
Rot. Bonds34

About 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide

2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide (PubChem CID 158602210) has the molecular formula C105H112Cl2F2N10O14 and a molecular weight of 1847.01 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide
PubChem CID158602210
Molecular FormulaC105H112Cl2F2N10O14
Molecular Weight1847.01 g/mol
Exact Mass1844.77
IUPAC Name2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide
SMILESCN(C(=O)c1ccccc1F)c1ccccc1C(=O)O.COc1ccc(C(=O)Nc2cccc(F)c2C(=O)CCCN2CCN(C)CC2)cc1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCCc2ccccc2)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cccc(Cl)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C25H25NO3.C23H28FN3O3.C21H24ClN3O2.C21H23ClN2O3.C15H12FNO3/c1-29-21-17-15-20(16-18-21)25(28)26-23-13-7-6-12-22(23)24(27)14-8-5-11-19-9-3-2-4-10-19;1-26-13-15-27(16-14-26)12-4-7-21(28)22-19(24)5-3-6-20(22)25-23(29)17-8-10-18(30-2)11-9-17;22-17-6-3-5-16(15-17)21(27)24-19-8-2-1-7-18(19)20(26)9-4-12-25-13-10-23-11-14-25;22-18-8-3-1-6-16(18)21(26)23-19-9-4-2-7-17(19)20(25)10-5-11-24-12-14-27-15-13-24;1-17(13-9-5-3-7-11(13)15(19)20)14(18)10-6-2-4-8-12(10)16/h2-4,6-7,9-10,12-13,15-18H,5,8,11,14H2,1H3,(H,26,28);3,5-6,8-11H,4,7,12-16H2,1-2H3,(H,25,29);1-3,5-8,15,23H,4,9-14H2,(H,24,27);1-4,6-9H,5,10-15H2,(H,23,26);2-9H,1H3,(H,19,20)
InChIKeyHVTVCIREICKDEI-UHFFFAOYSA-N
XLogP18.99
TPSA294.97 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds34
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.01
LogP ≤ 518.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide (CID 158602210) is 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide is CN(C(=O)c1ccccc1F)c1ccccc1C(=O)O.COc1ccc(C(=O)Nc2cccc(F)c2C(=O)CCCN2CCN(C)CC2)cc1.COc1ccc(C(=O)Nc2ccccc2C(=O)CCCCc2ccccc2)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cccc(Cl)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide?
The InChIKey is HVTVCIREICKDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3.C23H28FN3O3.C21H24ClN3O2.C21H23ClN2O3.C15H12FNO3/c1-29-21-17-15-20(16-18-21)25(28)26-23-13-7-6-12-22(23)24(27)14-8-5-11-19-9-3-2-4-10-19;1-26-13-15-27(16-14-26)12-4-7-21(28)22-19(24)5-3-6-20(22)25-23(29)17-8-10-18(30-2)11-9-17;22-17-6-3-5-16(15-17)21(27)24-19-8-2-1-7-18(19)20(26)9-4-12-25-13-10-23-11-14-25;22-18-8-3-1-6-16(18)21(26)23-19-9-4-2-7-17(19)20(25)10-5-11-24-12-14-27-15-13-24;1-17(13-9-5-3-7-11(13)15(19)20)14(18)10-6-2-4-8-12(10)16/h2-4,6-7,9-10,12-13,15-18H,5,8,11,14H2,1H3,(H,26,28);3,5-6,8-11H,4,7,12-16H2,1-2H3,(H,25,29);1-3,5-8,15,23H,4,9-14H2,(H,24,27);1-4,6-9H,5,10-15H2,(H,23,26);2-9H,1H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide?
2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide has a molecular weight of 1847.01 g/mol, XLogP of 18.99, 34 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;2-[(2-fluorobenzoyl)-methylamino]benzoic acid;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;4-methoxy-N-[2-(5-phenylpentanoyl)phenyl]benzamide is sourced from PubChem (CID 158602210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).