4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate

C22H16ClN2O4- — CID 6980706

IUPAC4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C22H17ClN2O4/c23-16-9-5-14(6-10-16)13-20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-7-15(8-12-17)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29)/p-1
InChIKeyPZZPNVLOWGWYIW-UHFFFAOYSA-M
MW407.83 g/mol
LogP3.14
Rot. Bonds6

About 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate

4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate (PubChem CID 6980706) has the molecular formula C22H16ClN2O4- and a molecular weight of 407.83 g/mol. Its IUPAC name is 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Name4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate
PubChem CID6980706
Molecular FormulaC22H16ClN2O4-
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC Name4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C22H17ClN2O4/c23-16-9-5-14(6-10-16)13-20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-7-15(8-12-17)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29)/p-1
InChIKeyPZZPNVLOWGWYIW-UHFFFAOYSA-M
XLogP3.14
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-methylbutanoylamino)benzoyl]amino]benzoate
CID 4050066
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
N-(4-chlorophenyl)-2-[(2-phenylmethoxyacetyl)amino]benzamide
CID 55466370
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
3-[[2-(4-chlorophenyl)acetyl]amino]-2-ethylbenzoate
CID 22306821
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoethyl] propanoate
CID 9015149
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(3,4-dimethylphenyl)benzamide
CID 4944628
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate?
The IUPAC name of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate (CID 6980706) is 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate.
What is the SMILES notation for 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate?
The canonical SMILES for 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate is O=C(Cc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate?
The InChIKey is PZZPNVLOWGWYIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17ClN2O4/c23-16-9-5-14(6-10-16)13-20(26)25-19-4-2-1-3-18(19)21(27)24-17-11-7-15(8-12-17)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29)/p-1.
What are the key properties of 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate?
4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate has a molecular weight of 407.83 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(4-chlorophenyl)acetyl]amino]benzoyl]amino]benzoate is sourced from PubChem (CID 6980706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).