4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide

C12H7Br2ClN2O2S — CID 78954012

IUPAC4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C12H7Br2ClN2O2S/c13-6-4-9(20-10(6)14)12(19)17-8-3-5(11(16)18)1-2-7(8)15/h1-4H,(H2,16,18)(H,17,19)
InChIKeyYJFCQMJMGDYSKO-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.28
Rot. Bonds3

About 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide

4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide (PubChem CID 78954012) has the molecular formula C12H7Br2ClN2O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
PubChem CID78954012
Molecular FormulaC12H7Br2ClN2O2S
Molecular Weight438.53 g/mol
Exact Mass435.83
IUPAC Name4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C12H7Br2ClN2O2S/c13-6-4-9(20-10(6)14)12(19)17-8-3-5(11(16)18)1-2-7(8)15/h1-4H,(H2,16,18)(H,17,19)
InChIKeyYJFCQMJMGDYSKO-UHFFFAOYSA-N
XLogP4.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 80534332
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
3-[[4-(bromomethyl)benzoyl]amino]-4-chlorobenzamide
CID 102851094
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
5-bromo-N-(5-bromo-2-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 79990693
4,5-dibromo-N-(2-chloro-4-cyanophenyl)thiophene-2-carboxamide
CID 103811052
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812
3-[(1-aminocyclopropanecarbonyl)amino]-4-chlorobenzamide
CID 65464421
N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
3-tert-butyl-N-(5-carbamoyl-2-chlorophenyl)-1-methylpyrazole-5-carboxamide
CID 23732837
N-(4-amino-2-cyanophenyl)-4,5-dibromothiophene-2-carboxamide
CID 80537159

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide (CID 78954012) is 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide is NC(=O)c1ccc(Cl)c(NC(=O)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide?
The InChIKey is YJFCQMJMGDYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2ClN2O2S/c13-6-4-9(20-10(6)14)12(19)17-8-3-5(11(16)18)1-2-7(8)15/h1-4H,(H2,16,18)(H,17,19).
What are the key properties of 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 78954012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).