N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide

C11H6BrClFNOS — CID 80645283

IUPACN-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1sccc1Cl
InChIInChI=1S/C11H6BrClFNOS/c12-7-5-6(14)1-2-9(7)15-11(16)10-8(13)3-4-17-10/h1-5H,(H,15,16)
InChIKeyRHWWIDUMCRWMFT-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.56
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide

N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide (PubChem CID 80645283) has the molecular formula C11H6BrClFNOS and a molecular weight of 334.60 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
PubChem CID80645283
Molecular FormulaC11H6BrClFNOS
Molecular Weight334.60 g/mol
Exact Mass332.90
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)c1sccc1Cl
InChIInChI=1S/C11H6BrClFNOS/c12-7-5-6(14)1-2-9(7)15-11(16)10-8(13)3-4-17-10/h1-5H,(H,15,16)
InChIKeyRHWWIDUMCRWMFT-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,4-difluorophenyl)thiophene-2-carboxamide
CID 47231630
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
4-[(3-chlorothiophene-2-carbonyl)amino]-3-fluorobenzoic acid
CID 80644550
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
N-(2-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 28938704
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573
3-[(2-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 16771343
N-(2-bromo-4-fluorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625157
N-(2-bromo-4-fluorophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 43134338
N-(2-bromo-4-fluorophenyl)-3-chloro-4-hydroxybenzamide
CID 28938603
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
5-bromo-N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938680

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide (CID 80645283) is N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide is O=C(Nc1ccc(F)cc1Br)c1sccc1Cl.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is RHWWIDUMCRWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNOS/c12-7-5-6(14)1-2-9(7)15-11(16)10-8(13)3-4-17-10/h1-5H,(H,15,16).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide?
N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 334.60 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80645283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).