4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide

C14H13BrN2O4 — CID 55606742

IUPAC4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)oc(C)c1Br
InChIInChI=1S/C14H13BrN2O4/c1-7-4-5-10(17(19)20)6-11(7)16-14(18)12-8(2)21-9(3)13(12)15/h4-6H,1-3H3,(H,16,18)
InChIKeyKMRBGVPXCTWCSM-UHFFFAOYSA-N
MW353.17 g/mol
LogP4.13
Rot. Bonds3

About 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide

4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide (PubChem CID 55606742) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide.

Molecular Properties

Compound Name4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
PubChem CID55606742
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)oc(C)c1Br
InChIInChI=1S/C14H13BrN2O4/c1-7-4-5-10(17(19)20)6-11(7)16-14(18)12-8(2)21-9(3)13(12)15/h4-6H,1-3H3,(H,16,18)
InChIKeyKMRBGVPXCTWCSM-UHFFFAOYSA-N
XLogP4.13
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
2,4-dibromo-N-(2-methyl-5-nitrophenyl)benzamide
CID 103885202
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061
6-bromo-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 103874163
3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
5-bromo-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 3283055
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
CID 103610887
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide?
The IUPAC name of 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide (CID 55606742) is 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide.
What is the SMILES notation for 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide?
The canonical SMILES for 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)oc(C)c1Br.
What is the InChIKey of 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide?
The InChIKey is KMRBGVPXCTWCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-7-4-5-10(17(19)20)6-11(7)16-14(18)12-8(2)21-9(3)13(12)15/h4-6H,1-3H3,(H,16,18).
What are the key properties of 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide?
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide has a molecular weight of 353.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide is sourced from PubChem (CID 55606742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).