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

C12H10BrNO2 — CID 106852319

IUPAC2-bromo-N-(3-methylphenyl)furan-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C12H10BrNO2/c1-8-3-2-4-9(7-8)14-12(15)10-5-6-16-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyPDLKPZVUIUUGCA-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.60
Rot. Bonds2

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

2-bromo-N-(3-methylphenyl)furan-3-carboxamide (PubChem CID 106852319) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-bromo-N-(3-methylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylphenyl)furan-3-carboxamide
PubChem CID106852319
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-bromo-N-(3-methylphenyl)furan-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccoc2Br)c1
InChIInChI=1S/C12H10BrNO2/c1-8-3-2-4-9(7-8)14-12(15)10-5-6-16-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyPDLKPZVUIUUGCA-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[3-(sulfamoylamino)phenyl]furan-3-carboxamide
CID 106853237
2-bromo-N-[3-(dimethylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852841
3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylphenyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-methylphenyl)furan-3-carboxamide (CID 106852319) is 2-bromo-N-(3-methylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-methylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-methylphenyl)furan-3-carboxamide is Cc1cccc(NC(=O)c2ccoc2Br)c1.
What is the InChIKey of 2-bromo-N-(3-methylphenyl)furan-3-carboxamide?
The InChIKey is PDLKPZVUIUUGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-8-3-2-4-9(7-8)14-12(15)10-5-6-16-11(10)13/h2-7H,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(3-methylphenyl)furan-3-carboxamide?
2-bromo-N-(3-methylphenyl)furan-3-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106852319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).