5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide

C11H8BrClN2O3 — CID 71969472

IUPAC5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(Br)o2)cc(Cl)c1=O
InChIInChI=1S/C11H8BrClN2O3/c1-15-5-6(4-7(13)11(15)17)14-10(16)8-2-3-9(12)18-8/h2-5H,1H3,(H,14,16)
InChIKeyAJENMVQHWJVFNN-UHFFFAOYSA-N
MW331.55 g/mol
LogP2.65
Rot. Bonds2

About 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide

5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide (PubChem CID 71969472) has the molecular formula C11H8BrClN2O3 and a molecular weight of 331.55 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide
PubChem CID71969472
Molecular FormulaC11H8BrClN2O3
Molecular Weight331.55 g/mol
Exact Mass329.94
IUPAC Name5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide
SMILESCn1cc(NC(=O)c2ccc(Br)o2)cc(Cl)c1=O
InChIInChI=1S/C11H8BrClN2O3/c1-15-5-6(4-7(13)11(15)17)14-10(16)8-2-3-9(12)18-8/h2-5H,1H3,(H,14,16)
InChIKeyAJENMVQHWJVFNN-UHFFFAOYSA-N
XLogP2.65
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]furan-2-carboxamide
CID 17204534
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-(1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 2232064
5-[(5-bromofuran-2-carbonyl)amino]-2-methylbenzoic acid
CID 63652798
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide (CID 71969472) is 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide is Cn1cc(NC(=O)c2ccc(Br)o2)cc(Cl)c1=O.
What is the InChIKey of 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide?
The InChIKey is AJENMVQHWJVFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O3/c1-15-5-6(4-7(13)11(15)17)14-10(16)8-2-3-9(12)18-8/h2-5H,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide?
5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide has a molecular weight of 331.55 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 71969472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).