4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide

C13H10ClFN2O2 — CID 9090081

IUPAC4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H10ClFN2O2/c1-7(18)8-5-11(16-6-8)13(19)17-10-4-2-3-9(14)12(10)15/h2-6,16H,1H3,(H,17,19)
InChIKeySZGFVQQBFNZFAM-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.26
Rot. Bonds3

About 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 9090081) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID9090081
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C13H10ClFN2O2/c1-7(18)8-5-11(16-6-8)13(19)17-10-4-2-3-9(14)12(10)15/h2-6,16H,1H3,(H,17,19)
InChIKeySZGFVQQBFNZFAM-UHFFFAOYSA-N
XLogP3.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442816
4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
5-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-chlorobenzoic acid
CID 60862715
4-acetyl-N-(3-chloro-4-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
CID 86830483
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023
4-acetyl-N-(3-ethynylphenyl)-1H-pyrrole-2-carboxamide
CID 18168150

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide (CID 9090081) is 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2cccc(Cl)c2F)c1.
What is the InChIKey of 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is SZGFVQQBFNZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7(18)8-5-11(16-6-8)13(19)17-10-4-2-3-9(14)12(10)15/h2-6,16H,1H3,(H,17,19).
What are the key properties of 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9090081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).