2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid

C22H17ClN2O4 — CID 17361903

IUPAC2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C22H17ClN2O4/c23-17-11-10-15(21(27)25-18-9-5-4-8-16(18)22(28)29)13-19(17)24-20(26)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyVUAORMTXRBHRHF-UHFFFAOYSA-N
MW408.84 g/mol
LogP4.47
Rot. Bonds6

About 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid

2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid (PubChem CID 17361903) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
PubChem CID17361903
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
SMILESO=C(Cc1ccccc1)Nc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C22H17ClN2O4/c23-17-11-10-15(21(27)25-18-9-5-4-8-16(18)22(28)29)13-19(17)24-20(26)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,26)(H,25,27)(H,28,29)
InChIKeyVUAORMTXRBHRHF-UHFFFAOYSA-N
XLogP4.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.84
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
2-[[3-[[2-(4-chlorophenyl)acetyl]amino]-4-methylbenzoyl]amino]benzoic acid
CID 17361899
2-[[2-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 54761803
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
2-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 63194782
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-[[3-(aminomethyl)benzoyl]amino]benzoic acid
CID 82546564
4-chloro-3-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235603
4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 1228449
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]benzoic acid
CID 1321809

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid (CID 17361903) is 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid is O=C(Cc1ccccc1)Nc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
The InChIKey is VUAORMTXRBHRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c23-17-11-10-15(21(27)25-18-9-5-4-8-16(18)22(28)29)13-19(17)24-20(26)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid?
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid has a molecular weight of 408.84 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid is sourced from PubChem (CID 17361903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).