4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide

C16H16BrFN2O — CID 60960256

IUPAC4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H16BrFN2O/c1-19(9-11-2-4-13(18)5-3-11)16(21)15-8-12(17)10-20(15)14-6-7-14/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyIINMLZPSDCFSJC-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.00
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 60960256) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID60960256
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C16H16BrFN2O/c1-19(9-11-2-4-13(18)5-3-11)16(21)15-8-12(17)10-20(15)14-6-7-14/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyIINMLZPSDCFSJC-UHFFFAOYSA-N
XLogP4.00
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43641522
4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43641731
N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 55012077
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949558
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
4-bromo-1-cyclopropyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949567

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide (CID 60960256) is 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is IINMLZPSDCFSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-19(9-11-2-4-13(18)5-3-11)16(21)15-8-12(17)10-20(15)14-6-7-14/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 351.22 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60960256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).