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

C20H14ClNO4 — CID 11990480

IUPAC2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H14ClNO4/c21-14-4-3-5-16(12-14)26-15-10-8-13(9-11-15)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyNOZQQHCKDVPWOR-UHFFFAOYSA-N
MW367.79 g/mol
LogP5.08
Rot. Bonds5

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

2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid (PubChem CID 11990480) has the molecular formula C20H14ClNO4 and a molecular weight of 367.79 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
PubChem CID11990480
Molecular FormulaC20H14ClNO4
Molecular Weight367.79 g/mol
Exact Mass367.06
IUPAC Name2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H14ClNO4/c21-14-4-3-5-16(12-14)26-15-10-8-13(9-11-15)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25)
InChIKeyNOZQQHCKDVPWOR-UHFFFAOYSA-N
XLogP5.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
2-[2-(3-chlorophenoxy)propanoylamino]benzoic acid
CID 2975075
2-[(2-methoxy-4-phenoxybenzoyl)amino]benzoic acid
CID 11990538
2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
N-(2-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 837045
N-(2,3-dichlorophenyl)-4-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]benzamide
CID 3396392
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid (CID 11990480) is 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid?
The InChIKey is NOZQQHCKDVPWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO4/c21-14-4-3-5-16(12-14)26-15-10-8-13(9-11-15)19(23)22-18-7-2-1-6-17(18)20(24)25/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid?
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid has a molecular weight of 367.79 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid is sourced from PubChem (CID 11990480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).