3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

C12H9BrClNOS — CID 47220417

IUPAC3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1sccc1Br
InChIInChI=1S/C12H9BrClNOS/c13-10-4-5-17-11(10)12(16)15-7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H,15,16)
InChIKeyNOOLDPOCCFPJKL-UHFFFAOYSA-N
MW330.63 g/mol
LogP4.09
Rot. Bonds3

About 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide

3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 47220417) has the molecular formula C12H9BrClNOS and a molecular weight of 330.63 g/mol. Its IUPAC name is 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
PubChem CID47220417
Molecular FormulaC12H9BrClNOS
Molecular Weight330.63 g/mol
Exact Mass328.93
IUPAC Name3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1sccc1Br
InChIInChI=1S/C12H9BrClNOS/c13-10-4-5-17-11(10)12(16)15-7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H,15,16)
InChIKeyNOOLDPOCCFPJKL-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.63
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-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-[(3-chlorophenyl)methyl]-3-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 63796299
2-bromo-N-[(3-chlorophenyl)methyl]-4-fluorobenzamide
CID 9209881
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
N-[[3-(chloromethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 113272785
3-bromo-N-[(6-methyl-2-pyridinyl)methyl]thiophene-2-carboxamide
CID 47340934
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
N-[2-(3-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18227178

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide (CID 47220417) is 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is NOOLDPOCCFPJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNOS/c13-10-4-5-17-11(10)12(16)15-7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H,15,16).
What are the key properties of 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide?
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 330.63 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47220417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).