4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide

C12H8Br2FNOS — CID 42971041

IUPAC4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C12H8Br2FNOS/c1-6-2-3-8(15)9(4-6)16-12(17)10-5-7(13)11(14)18-10/h2-5H,1H3,(H,16,17)
InChIKeyMIFCXTRYJBSHJP-UHFFFAOYSA-N
MW393.08 g/mol
LogP4.97
Rot. Bonds2

About 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide (PubChem CID 42971041) has the molecular formula C12H8Br2FNOS and a molecular weight of 393.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
PubChem CID42971041
Molecular FormulaC12H8Br2FNOS
Molecular Weight393.08 g/mol
Exact Mass390.87
IUPAC Name4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(F)c(NC(=O)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C12H8Br2FNOS/c1-6-2-3-8(15)9(4-6)16-12(17)10-5-7(13)11(14)18-10/h2-5H,1H3,(H,16,17)
InChIKeyMIFCXTRYJBSHJP-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
CID 80534122
2-[(4,5-dibromothiophene-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442741
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
4,5-dibromo-N-(2-tert-butylphenyl)thiophene-2-carboxamide
CID 78906422
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide (CID 42971041) is 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide is Cc1ccc(F)c(NC(=O)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
The InChIKey is MIFCXTRYJBSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNOS/c1-6-2-3-8(15)9(4-6)16-12(17)10-5-7(13)11(14)18-10/h2-5H,1H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide has a molecular weight of 393.08 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-fluoro-5-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 42971041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).