4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C15H14ClFN2O2 — CID 2125831

IUPAC4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2F)c1C
InChIInChI=1S/C15H14ClFN2O2/c1-7-13(9(3)20)8(2)18-14(7)15(21)19-12-5-4-10(16)6-11(12)17/h4-6,18H,1-3H3,(H,19,21)
InChIKeyLGQRVTZXDSWAEF-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.88
Rot. Bonds3

About 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2125831) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID2125831
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2F)c1C
InChIInChI=1S/C15H14ClFN2O2/c1-7-13(9(3)20)8(2)18-14(7)15(21)19-12-5-4-10(16)6-11(12)17/h4-6,18H,1-3H3,(H,19,21)
InChIKeyLGQRVTZXDSWAEF-UHFFFAOYSA-N
XLogP3.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 775964
4-acetyl-3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 866986
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866992
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
4-acetyl-N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2092104
4-acetyl-N-(4-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 4334620
4-[2-(diethylamino)-2-oxo-acetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethyl-pyrrole-2-carboxamide
CID 130408595
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866990
4-acetyl-N-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867015
Sdccgsbi-0661720.P001
CID 2430108
4-acetyl-N-{3-[ethyl(phenyl)amino]propyl}-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3243469

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 2125831) is 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2F)c1C.
What is the InChIKey of 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is LGQRVTZXDSWAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-7-13(9(3)20)8(2)18-14(7)15(21)19-12-5-4-10(16)6-11(12)17/h4-6,18H,1-3H3,(H,19,21).
What are the key properties of 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2125831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).