4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide

C16H16BrFN2O — CID 60933403

IUPAC4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)c1ccccc1F
InChIInChI=1S/C16H16BrFN2O/c1-10(13-4-2-3-5-14(13)18)19-16(21)15-8-11(17)9-20(15)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21)
InChIKeyKTLSMEWCESBWHW-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.22
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 60933403) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide
PubChem CID60933403
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C1CC1)c1ccccc1F
InChIInChI=1S/C16H16BrFN2O/c1-10(13-4-2-3-5-14(13)18)19-16(21)15-8-11(17)9-20(15)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21)
InChIKeyKTLSMEWCESBWHW-UHFFFAOYSA-N
XLogP4.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 116650049
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 61118471
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713
4-bromo-1-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyrrole-2-carboxamide
CID 103110528
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-1-cyclopropyl-N-(2,3,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62812529
4-bromo-1-cyclopropyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide
CID 60977099
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-[2-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 60955186

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide (CID 60933403) is 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)cn1C1CC1)c1ccccc1F.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is KTLSMEWCESBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-10(13-4-2-3-5-14(13)18)19-16(21)15-8-11(17)9-20(15)12-6-7-12/h2-5,8-10,12H,6-7H2,1H3,(H,19,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 351.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60933403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).