4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

C15H14BrFN2O2 — CID 55580589

IUPAC4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9(20)10-6-14(18-7-10)15(21)19(2)8-11-5-12(16)3-4-13(11)17/h3-7,18H,8H2,1-2H3
InChIKeySXWNBAUIFMEGIS-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.39
Rot. Bonds4

About 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 55580589) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID55580589
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)Cc2cc(Br)ccc2F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-9(20)10-6-14(18-7-10)15(21)19(2)8-11-5-12(16)3-4-13(11)17/h3-7,18H,8H2,1-2H3
InChIKeySXWNBAUIFMEGIS-UHFFFAOYSA-N
XLogP3.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55580182
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 55579436
4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 24560758
4-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 18112118
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
4-acetyl-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 9087892
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
1-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86867232
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165774

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 55580589) is 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(C)Cc2cc(Br)ccc2F)c1.
What is the InChIKey of 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is SXWNBAUIFMEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9(20)10-6-14(18-7-10)15(21)19(2)8-11-5-12(16)3-4-13(11)17/h3-7,18H,8H2,1-2H3.
What are the key properties of 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 353.19 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55580589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).