5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide

C13H12BrNO2 — CID 27839121

IUPAC5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrNO2/c1-9-4-2-3-5-10(9)8-15-13(16)11-6-7-12(14)17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyGMDTWLXEAYLNHF-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 27839121) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
PubChem CID27839121
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrNO2/c1-9-4-2-3-5-10(9)8-15-13(16)11-6-7-12(14)17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyGMDTWLXEAYLNHF-UHFFFAOYSA-N
XLogP3.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
5-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]furan-2-carboxamide
CID 48834750
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
5-bromo-N-[(2-methyl-1H-indol-3-yl)methyl]furan-2-carboxamide
CID 110794088
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide (CID 27839121) is 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide is Cc1ccccc1CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is GMDTWLXEAYLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-4-2-3-5-10(9)8-15-13(16)11-6-7-12(14)17-11/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 27839121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).