3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid

C14H9Cl2NO3 — CID 81361883

IUPAC3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H9Cl2NO3/c15-9-5-8(14(19)20)6-10(7-9)17-13(18)11-3-1-2-4-12(11)16/h1-7H,(H,17,18)(H,19,20)
InChIKeyXEKYKEVJHMPJHB-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.94
Rot. Bonds3

About 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid

3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid (PubChem CID 81361883) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
PubChem CID81361883
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C14H9Cl2NO3/c15-9-5-8(14(19)20)6-10(7-9)17-13(18)11-3-1-2-4-12(11)16/h1-7H,(H,17,18)(H,19,20)
InChIKeyXEKYKEVJHMPJHB-UHFFFAOYSA-N
XLogP3.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 3603444
3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107688176
3-chloro-5-[(3-methylbenzoyl)amino]benzoic acid
CID 81362091
3-chloro-5-[(4-chloro-3-fluorobenzoyl)amino]benzoic acid
CID 106703565
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
3-[(3,5-dichlorophenyl)carbamoyl]benzoic acid
CID 43452757
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-anilino-N-(3,5-dichlorophenyl)benzamide
CID 54784944
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid (CID 81361883) is 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid is O=C(O)c1cc(Cl)cc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid?
The InChIKey is XEKYKEVJHMPJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-9-5-8(14(19)20)6-10(7-9)17-13(18)11-3-1-2-4-12(11)16/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid?
3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid has a molecular weight of 310.14 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 81361883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).