3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide

C14H12N2O4 — CID 695792

IUPAC3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2ccco2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-10-12(5-2-6-13(10)16(18)19)15-14(17)8-7-11-4-3-9-20-11/h2-9H,1H3,(H,15,17)
InChIKeyCUTRXNCZBWGTHR-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.15
Rot. Bonds4

About 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide

3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide (PubChem CID 695792) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
PubChem CID695792
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2ccco2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O4/c1-10-12(5-2-6-13(10)16(18)19)15-14(17)8-7-11-4-3-9-20-11/h2-9H,1H3,(H,15,17)
InChIKeyCUTRXNCZBWGTHR-UHFFFAOYSA-N
XLogP3.15
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
N-(2-methyl-3-nitrophenyl)-3-thiophen-2-ylprop-2-enamide
CID 922905
3-(5-methylfuran-2-yl)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]prop-2-enamide
CID 922669
(E)-3-(5-methylfuran-2-yl)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]prop-2-enamide
CID 922670
(E)-3-(furan-2-yl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 17101941
(E)-3-[4-(methanesulfonamido)phenyl]-N-(2-methyl-3-nitrophenyl)prop-2-enamide
CID 25348431
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
N-(2,3-dimethylphenyl)-4-[3-(furan-2-yl)prop-2-enoylamino]benzamide
CID 1292346
(E)-3-(furan-2-yl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 801873
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide (CID 695792) is 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide is Cc1c(NC(=O)C=Cc2ccco2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide?
The InChIKey is CUTRXNCZBWGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-10-12(5-2-6-13(10)16(18)19)15-14(17)8-7-11-4-3-9-20-11/h2-9H,1H3,(H,15,17).
What are the key properties of 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide?
3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide has a molecular weight of 272.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 695792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).