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

C12H10BrNO2 — CID 110604733

IUPACN-(3-bromo-5-methylphenyl)furan-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccco2)c1
InChIInChI=1S/C12H10BrNO2/c1-8-5-9(13)7-10(6-8)14-12(15)11-3-2-4-16-11/h2-7H,1H3,(H,14,15)
InChIKeyLVBCZUFPXWCAFR-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.60
Rot. Bonds2

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

N-(3-bromo-5-methylphenyl)furan-2-carboxamide (PubChem CID 110604733) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)furan-2-carboxamide
PubChem CID110604733
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC NameN-(3-bromo-5-methylphenyl)furan-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2ccco2)c1
InChIInChI=1S/C12H10BrNO2/c1-8-5-9(13)7-10(6-8)14-12(15)11-3-2-4-16-11/h2-7H,1H3,(H,14,15)
InChIKeyLVBCZUFPXWCAFR-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

(E)-3-[3-(furan-2-carbonylamino)-5-methylphenyl]prop-2-enoic acid
CID 107580193
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
dimethyl 5-(furan-2-carbonylamino)benzene-1,3-dicarboxylate
CID 711226
N-(3,5-ditert-butyl-4-hydroxyphenyl)furan-2-carboxamide
CID 56689935
5-bromo-N-[3-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1365371
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)furan-2-carboxamide (CID 110604733) is N-(3-bromo-5-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)furan-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)furan-2-carboxamide?
The InChIKey is LVBCZUFPXWCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-8-5-9(13)7-10(6-8)14-12(15)11-3-2-4-16-11/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-bromo-5-methylphenyl)furan-2-carboxamide?
N-(3-bromo-5-methylphenyl)furan-2-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 N-(3-bromo-5-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 110604733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).