3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

C13H10BrClN2O2S — CID 60794257

IUPAC3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2sccc2Br)c1
InChIInChI=1S/C13H10BrClN2O2S/c1-16-12(18)7-2-3-9(15)10(6-7)17-13(19)11-8(14)4-5-20-11/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyDUIBSYUMRUKMEP-UHFFFAOYSA-N
MW373.66 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide

3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 60794257) has the molecular formula C13H10BrClN2O2S and a molecular weight of 373.66 g/mol. Its IUPAC name is 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID60794257
Molecular FormulaC13H10BrClN2O2S
Molecular Weight373.66 g/mol
Exact Mass371.93
IUPAC Name3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)c2sccc2Br)c1
InChIInChI=1S/C13H10BrClN2O2S/c1-16-12(18)7-2-3-9(15)10(6-7)17-13(19)11-8(14)4-5-20-11/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyDUIBSYUMRUKMEP-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.66
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-carboxamide
CID 104723934
2-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103758998
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
3-bromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103799691
3-bromo-N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]thiophene-2-carboxamide
CID 107809860
N-[2-chloro-5-(methylcarbamoyl)phenyl]-5-methylthiophene-2-carboxamide
CID 47249430
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
(3-bromo-4-chlorophenyl)-(3-bromothiophen-2-yl)methanone
CID 115566211
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
3-bromo-N-(3-chloro-2-fluorophenyl)thiophene-2-carboxamide
CID 60778064
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
tert-butyl N-[2-chloro-5-(methylcarbamoyl)phenyl]carbamate
CID 65142598

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 60794257) is 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is CNC(=O)c1ccc(Cl)c(NC(=O)c2sccc2Br)c1.
What is the InChIKey of 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is DUIBSYUMRUKMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2S/c1-16-12(18)7-2-3-9(15)10(6-7)17-13(19)11-8(14)4-5-20-11/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide?
3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 373.66 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-chloro-5-(methylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 60794257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).