2-[(4-cyclopropylbenzoyl)amino]benzoic acid

C17H15NO3 — CID 126822246

IUPAC2-[(4-cyclopropylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H15NO3/c19-16(13-9-7-12(8-10-13)11-5-6-11)18-15-4-2-1-3-14(15)17(20)21/h1-4,7-11H,5-6H2,(H,18,19)(H,20,21)
InChIKeyORZXLLUGDDAIAJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.51
Rot. Bonds4

About 2-[(4-cyclopropylbenzoyl)amino]benzoic acid

2-[(4-cyclopropylbenzoyl)amino]benzoic acid (PubChem CID 126822246) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(4-cyclopropylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-cyclopropylbenzoyl)amino]benzoic acid
PubChem CID126822246
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(4-cyclopropylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H15NO3/c19-16(13-9-7-12(8-10-13)11-5-6-11)18-15-4-2-1-3-14(15)17(20)21/h1-4,7-11H,5-6H2,(H,18,19)(H,20,21)
InChIKeyORZXLLUGDDAIAJ-UHFFFAOYSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
bis(2-benzamidobenzoic acid);piperazine
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2-[(4-methoxybenzoyl)amino]benzoic acid
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2-[[4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]benzoic acid
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2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
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N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
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2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-(4-cyclohexylphenyl)benzamide
CID 10333838

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(4-cyclopropylbenzoyl)amino]benzoic acid (CID 126822246) is 2-[(4-cyclopropylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-cyclopropylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-cyclopropylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-[(4-cyclopropylbenzoyl)amino]benzoic acid?
The InChIKey is ORZXLLUGDDAIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(13-9-7-12(8-10-13)11-5-6-11)18-15-4-2-1-3-14(15)17(20)21/h1-4,7-11H,5-6H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-cyclopropylbenzoyl)amino]benzoic acid?
2-[(4-cyclopropylbenzoyl)amino]benzoic acid has a molecular weight of 281.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 126822246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).