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

C15H14F2N2O2 — CID 866991

IUPAC4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C15H14F2N2O2/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)
InChIKeyYUSHGZFQYRCFFO-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.36
Rot. Bonds3

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

4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 866991) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID866991
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2F)c1C
InChIInChI=1S/C15H14F2N2O2/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)
InChIKeyYUSHGZFQYRCFFO-UHFFFAOYSA-N
XLogP3.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 866991) is 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2F)c1C.
What is the InChIKey of 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is YUSHGZFQYRCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/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-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 292.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 866991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).