2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid

C14H11FN2O4 — CID 43442816

IUPAC2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C14H11FN2O4/c1-7(18)8-5-11(16-6-8)13(19)17-10-4-2-3-9(15)12(10)14(20)21/h2-6,16H,1H3,(H,17,19)(H,20,21)
InChIKeyQXJKMQCOWNWISR-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.31
Rot. Bonds4

About 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid

2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid (PubChem CID 43442816) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
PubChem CID43442816
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C14H11FN2O4/c1-7(18)8-5-11(16-6-8)13(19)17-10-4-2-3-9(15)12(10)14(20)21/h2-6,16H,1H3,(H,17,19)(H,20,21)
InChIKeyQXJKMQCOWNWISR-UHFFFAOYSA-N
XLogP2.31
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9090081
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
2-benzamido-6-fluorobenzoic acid
CID 13389963
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
2-[(4-cyanobenzoyl)amino]-6-fluorobenzoic acid
CID 43442938
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
4-acetyl-N-(6-methyl-2-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18107275
2-fluoro-6-[(5-nitro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 43442867
4-acetyl-N-(4-methylsulfanylphenyl)-1H-pyrrole-2-carboxamide
CID 9180228

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid (CID 43442816) is 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid is CC(=O)c1c[nH]c(C(=O)Nc2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid?
The InChIKey is QXJKMQCOWNWISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-7(18)8-5-11(16-6-8)13(19)17-10-4-2-3-9(15)12(10)14(20)21/h2-6,16H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid?
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid has a molecular weight of 290.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid is sourced from PubChem (CID 43442816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).