N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide

C27H22ClN3O3 — CID 4941967

IUPACN-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H22ClN3O3/c28-19-10-16-23(17-11-19)34-18-26(32)31-25-9-5-4-8-24(25)27(33)30-22-14-12-21(13-15-22)29-20-6-2-1-3-7-20/h1-17,29H,18H2,(H,30,33)(H,31,32)
InChIKeyLDMBDZZOYNEYOO-UHFFFAOYSA-N
MW471.94 g/mol
LogP6.35
Rot. Bonds8

About N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide

N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide (PubChem CID 4941967) has the molecular formula C27H22ClN3O3 and a molecular weight of 471.94 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
PubChem CID4941967
Molecular FormulaC27H22ClN3O3
Molecular Weight471.94 g/mol
Exact Mass471.13
IUPAC NameN-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H22ClN3O3/c28-19-10-16-23(17-11-19)34-18-26(32)31-25-9-5-4-8-24(25)27(33)30-22-14-12-21(13-15-22)29-20-6-2-1-3-7-20/h1-17,29H,18H2,(H,30,33)(H,31,32)
InChIKeyLDMBDZZOYNEYOO-UHFFFAOYSA-N
XLogP6.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 4942027
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 4632520
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
N-(4-chlorophenyl)-2-[(2-phenylmethoxyacetyl)amino]benzamide
CID 55466370
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 7614463
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 4941425

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide (CID 4941967) is N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide is O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide?
The InChIKey is LDMBDZZOYNEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O3/c28-19-10-16-23(17-11-19)34-18-26(32)31-25-9-5-4-8-24(25)27(33)30-22-14-12-21(13-15-22)29-20-6-2-1-3-7-20/h1-17,29H,18H2,(H,30,33)(H,31,32).
What are the key properties of N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide has a molecular weight of 471.94 g/mol, XLogP of 6.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4941967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).