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

C18H15ClN2O4 — CID 17172152

IUPAC4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H15ClN2O4/c19-12-5-8-14(18(24)25)15(9-12)21-17(23)11-3-6-13(7-4-11)20-16(22)10-1-2-10/h3-10H,1-2H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyNZTDHCYCHWKOQJ-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.64
Rot. Bonds5

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

4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid (PubChem CID 17172152) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
PubChem CID17172152
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H15ClN2O4/c19-12-5-8-14(18(24)25)15(9-12)21-17(23)11-3-6-13(7-4-11)20-16(22)10-1-2-10/h3-10H,1-2H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyNZTDHCYCHWKOQJ-UHFFFAOYSA-N
XLogP3.64
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 804402
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzoic acid
CID 79511933
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoic acid
CID 45341431
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990
4-(cyclopropanecarbonylamino)-N-[2-(cyclopropanecarbonylamino)-4-methylphenyl]benzamide
CID 17296301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid (CID 17172152) is 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
The InChIKey is NZTDHCYCHWKOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-12-5-8-14(18(24)25)15(9-12)21-17(23)11-3-6-13(7-4-11)20-16(22)10-1-2-10/h3-10H,1-2H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid?
4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid has a molecular weight of 358.78 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid is sourced from PubChem (CID 17172152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).