2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide

C88H101Cl2F4N11O10 — CID 162150822

IUPAC2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1.COc1ccc(C(=O)Nc2cccc(F)c2C(=O)CCCN2CCN(C)CC2)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cccc(Cl)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C23H26F3N3O2.C23H28FN3O3.C21H24ClN3O2.C21H23ClN2O3/c1-28-13-15-29(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;1-26-13-15-27(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/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,27,31);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)
InChIKeyZLELIBGIYDLHIH-UHFFFAOYSA-N
MW1619.74 g/mol
LogP14.81
Rot. Bonds29

About 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide

2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 162150822) has the molecular formula C88H101Cl2F4N11O10 and a molecular weight of 1619.74 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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID162150822
Molecular FormulaC88H101Cl2F4N11O10
Molecular Weight1619.74 g/mol
Exact Mass1617.70
IUPAC Name2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCN1CCN(CCCC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1.COc1ccc(C(=O)Nc2cccc(F)c2C(=O)CCCN2CCN(C)CC2)cc1.O=C(Nc1ccccc1C(=O)CCCN1CCNCC1)c1cccc(Cl)c1.O=C(Nc1ccccc1C(=O)CCCN1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C23H26F3N3O2.C23H28FN3O3.C21H24ClN3O2.C21H23ClN2O3/c1-28-13-15-29(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;1-26-13-15-27(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/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,27,31);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)
InChIKeyZLELIBGIYDLHIH-UHFFFAOYSA-N
XLogP14.81
TPSA234.61 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds29
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001619.74
LogP ≤ 514.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide (CID 162150822) is 2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;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.COc1ccc(C(=O)Nc2cccc(F)c2C(=O)CCCN2CCN(C)CC2)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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZLELIBGIYDLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2.C23H28FN3O3.C21H24ClN3O2.C21H23ClN2O3/c1-28-13-15-29(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;1-26-13-15-27(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/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,27,31);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).
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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide?
2-chloro-N-[2-(4-morpholin-4-ylbutanoyl)phenyl]benzamide;3-chloro-N-[2-(4-piperazin-1-ylbutanoyl)phenyl]benzamide;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 1619.74 g/mol, XLogP of 14.81, 29 rotatable bonds, 5 hydrogen bond donors, and 17 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;N-[3-fluoro-2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-methoxybenzamide;N-[2-[4-(4-methylpiperazin-1-yl)butanoyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 162150822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).