5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide

C15H14N2O4 — CID 2268422

IUPAC5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C15H14N2O4/c1-3-8-16-15(18)14-7-6-13(21-14)12-5-4-11(17(19)20)9-10(12)2/h3-7,9H,1,8H2,2H3,(H,16,18)
InChIKeySUSDBOGRXMVHLZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.08
Rot. Bonds5

About 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide

5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide (PubChem CID 2268422) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
PubChem CID2268422
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C15H14N2O4/c1-3-8-16-15(18)14-7-6-13(21-14)12-5-4-11(17(19)20)9-10(12)2/h3-7,9H,1,8H2,2H3,(H,16,18)
InChIKeySUSDBOGRXMVHLZ-UHFFFAOYSA-N
XLogP3.08
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 91678218
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
2-chloro-5-nitro-N-prop-2-enylbenzamide
CID 2390073
N-[(E)-[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 21214593
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
(E)-N-carbamothioyl-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 132591132
3-nitro-N-prop-2-enylbenzamide
CID 2832220
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
CID 9088085
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 23849697

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide (CID 2268422) is 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide is C=CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1.
What is the InChIKey of 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is SUSDBOGRXMVHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-3-8-16-15(18)14-7-6-13(21-14)12-5-4-11(17(19)20)9-10(12)2/h3-7,9H,1,8H2,2H3,(H,16,18).
What are the key properties of 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide?
5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-nitrophenyl)-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 2268422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).