4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide

C14H14BrClN2O — CID 60698295

IUPAC4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H14BrClN2O/c1-9(10-3-5-12(16)6-4-10)17-14(19)13-7-11(15)8-18(13)2/h3-9H,1-2H3,(H,17,19)
InChIKeyLKNZLFZJQXKFOH-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.93
Rot. Bonds3

About 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 60698295) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID60698295
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C)c1ccc(Cl)cc1
InChIInChI=1S/C14H14BrClN2O/c1-9(10-3-5-12(16)6-4-10)17-14(19)13-7-11(15)8-18(13)2/h3-9H,1-2H3,(H,17,19)
InChIKeyLKNZLFZJQXKFOH-UHFFFAOYSA-N
XLogP3.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
4-bromo-N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 60698404
4-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 87011236
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63529150
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
(2R)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063046
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
(2S)-2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 30063050
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529149
4-bromo-N-(3,3-dimethylbutan-2-yl)-1-methylpyrrole-2-carboxamide
CID 115622756
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
5-bromo-N-[1-(4-chlorophenyl)ethyl]-2-hydroxybenzamide
CID 103600185

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide (CID 60698295) is 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)cn1C)c1ccc(Cl)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LKNZLFZJQXKFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-9(10-3-5-12(16)6-4-10)17-14(19)13-7-11(15)8-18(13)2/h3-9H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 341.64 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60698295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).