3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide

C12H7BrN2OS — CID 63172712

IUPAC3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1sccc1Br
InChIInChI=1S/C12H7BrN2OS/c13-9-5-6-17-11(9)12(16)15-10-4-2-1-3-8(10)7-14/h1-6H,(H,15,16)
InChIKeyFKBSLFSLIRLARC-UHFFFAOYSA-N
MW307.17 g/mol
LogP3.63
Rot. Bonds2

About 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide

3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide (PubChem CID 63172712) has the molecular formula C12H7BrN2OS and a molecular weight of 307.17 g/mol. Its IUPAC name is 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
PubChem CID63172712
Molecular FormulaC12H7BrN2OS
Molecular Weight307.17 g/mol
Exact Mass305.95
IUPAC Name3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1sccc1Br
InChIInChI=1S/C12H7BrN2OS/c13-9-5-6-17-11(9)12(16)15-10-4-2-1-3-8(10)7-14/h1-6H,(H,15,16)
InChIKeyFKBSLFSLIRLARC-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 79503185
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576
2-[(3-bromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 55240484
4-chloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 150757890
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
(2-cyanophenyl)urea
CID 13155570
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide (CID 63172712) is 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide is N#Cc1ccccc1NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide?
The InChIKey is FKBSLFSLIRLARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2OS/c13-9-5-6-17-11(9)12(16)15-10-4-2-1-3-8(10)7-14/h1-6H,(H,15,16).
What are the key properties of 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide?
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide has a molecular weight of 307.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 63172712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).