4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide

C16H14F2N2O2 — CID 166247059

IUPAC4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1
InChIInChI=1S/C16H14F2N2O2/c1-8(21)9-4-15(19-7-9)16(22)20-14-6-12(14)11-3-2-10(17)5-13(11)18/h2-5,7,12,14,19H,6H2,1H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyJQUSFUCKWSEAQV-GXTWGEPZSA-N
MW304.30 g/mol
LogP2.78
Rot. Bonds4

About 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide (PubChem CID 166247059) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
PubChem CID166247059
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1
InChIInChI=1S/C16H14F2N2O2/c1-8(21)9-4-15(19-7-9)16(22)20-14-6-12(14)11-3-2-10(17)5-13(11)18/h2-5,7,12,14,19H,6H2,1H3,(H,20,22)/t12-,14+/m0/s1
InChIKeyJQUSFUCKWSEAQV-GXTWGEPZSA-N
XLogP2.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 126813051
N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 127264724
4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
4-acetyl-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1H-pyrrole-2-carboxamide
CID 25402071
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
CID 126806763
N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 127264725
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442816
1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
CID 97054888
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
2-(2,4-difluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120555147

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide (CID 166247059) is 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2F)c1.
What is the InChIKey of 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JQUSFUCKWSEAQV-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-8(21)9-4-15(19-7-9)16(22)20-14-6-12(14)11-3-2-10(17)5-13(11)18/h2-5,7,12,14,19H,6H2,1H3,(H,20,22)/t12-,14+/m0/s1.
What are the key properties of 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166247059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).