2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide

C12H8BrF2NO2 — CID 106854464

IUPAC2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccoc2Br)cc1F
InChIInChI=1S/C12H8BrF2NO2/c1-6-4-9(15)10(5-8(6)14)16-12(17)7-2-3-18-11(7)13/h2-5H,1H3,(H,16,17)
InChIKeyNQUGIXRBGCLEHG-UHFFFAOYSA-N
MW316.10 g/mol
LogP3.88
Rot. Bonds2

About 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide

2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide (PubChem CID 106854464) has the molecular formula C12H8BrF2NO2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
PubChem CID106854464
Molecular FormulaC12H8BrF2NO2
Molecular Weight316.10 g/mol
Exact Mass314.97
IUPAC Name2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccoc2Br)cc1F
InChIInChI=1S/C12H8BrF2NO2/c1-6-4-9(15)10(5-8(6)14)16-12(17)7-2-3-18-11(7)13/h2-5H,1H3,(H,16,17)
InChIKeyNQUGIXRBGCLEHG-UHFFFAOYSA-N
XLogP3.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-fluorobenzoate
CID 106852805
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-methylbenzoate
CID 106852729
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
CID 106852116
5-bromo-N-(2,5-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 103586267
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide
CID 106854138
2-bromo-N-(4-chloro-2-iodophenyl)furan-3-carboxamide
CID 106899056
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide (CID 106854464) is 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide is Cc1cc(F)c(NC(=O)c2ccoc2Br)cc1F.
What is the InChIKey of 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide?
The InChIKey is NQUGIXRBGCLEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2/c1-6-4-9(15)10(5-8(6)14)16-12(17)7-2-3-18-11(7)13/h2-5H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide?
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide has a molecular weight of 316.10 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106854464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).