2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid

C18H14N2O3 — CID 45340861

IUPAC2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14N2O3/c21-17(19-16-6-2-1-5-15(16)18(22)23)13-7-9-14(10-8-13)20-11-3-4-12-20/h1-12H,(H,19,21)(H,22,23)
InChIKeyRVOXGEHDZSXKFH-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.43
Rot. Bonds4

About 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid

2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid (PubChem CID 45340861) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
PubChem CID45340861
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H14N2O3/c21-17(19-16-6-2-1-5-15(16)18(22)23)13-7-9-14(10-8-13)20-11-3-4-12-20/h1-12H,(H,19,21)(H,22,23)
InChIKeyRVOXGEHDZSXKFH-UHFFFAOYSA-N
XLogP3.43
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
methyl 2-hydroxy-3-[(4-pyrrol-1-ylbenzoyl)amino]benzoate
CID 56543092
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 55964825
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[[4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoyl]amino]benzoic acid
CID 1217042
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
bis(2-benzamidobenzoic acid);piperazine
CID 3045073
2-[[4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]benzoic acid
CID 126822242
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
N-imidazo[1,2-a]pyridin-8-yl-4-pyrrol-1-ylbenzamide
CID 110745743
2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid (CID 45340861) is 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid?
The InChIKey is RVOXGEHDZSXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(19-16-6-2-1-5-15(16)18(22)23)13-7-9-14(10-8-13)20-11-3-4-12-20/h1-12H,(H,19,21)(H,22,23).
What are the key properties of 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid?
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid has a molecular weight of 306.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 45340861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).