2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide

C13H9BrN2O2 — CID 106852116

IUPAC2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccoc1Br
InChIInChI=1S/C13H9BrN2O2/c1-8-2-3-9(7-15)6-11(8)16-13(17)10-4-5-18-12(10)14/h2-6H,1H3,(H,16,17)
InChIKeyDIYLTWYVGYYDLC-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide

2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide (PubChem CID 106852116) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
PubChem CID106852116
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccoc1Br
InChIInChI=1S/C13H9BrN2O2/c1-8-2-3-9(7-15)6-11(8)16-13(17)10-4-5-18-12(10)14/h2-6H,1H3,(H,16,17)
InChIKeyDIYLTWYVGYYDLC-UHFFFAOYSA-N
XLogP3.47
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-methylbenzoate
CID 106852729
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106854464
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide (CID 106852116) is 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide is Cc1ccc(C#N)cc1NC(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide?
The InChIKey is DIYLTWYVGYYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-8-2-3-9(7-15)6-11(8)16-13(17)10-4-5-18-12(10)14/h2-6H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide?
2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide has a molecular weight of 305.13 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-cyano-2-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106852116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).