3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide

C16H14N2O3 — CID 759724

IUPAC3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14N2O3/c1-12-5-7-13(8-6-12)9-10-16(19)17-14-3-2-4-15(11-14)18(20)21/h2-11H,1H3,(H,17,19)
InChIKeyIOCIVGMQAYQQMH-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.56
Rot. Bonds4

About 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide

3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide (PubChem CID 759724) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
PubChem CID759724
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14N2O3/c1-12-5-7-13(8-6-12)9-10-16(19)17-14-3-2-4-15(11-14)18(20)21/h2-11H,1H3,(H,17,19)
InChIKeyIOCIVGMQAYQQMH-UHFFFAOYSA-N
XLogP3.56
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-(4-methylphenyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide
CID 922763
N-(3-nitrophenyl)-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 71900011
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 36824512
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
(E)-N-(2-methyl-5-nitrophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 897528
(E)-3-(4-tert-butylphenyl)-N-(4-hydroxy-3-nitrophenyl)prop-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 161085008
2-methyl-N-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]propanamide
CID 17189316
(E)-3-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 9410959
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
(E)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 70301575

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide (CID 759724) is 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide?
The InChIKey is IOCIVGMQAYQQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-12-5-7-13(8-6-12)9-10-16(19)17-14-3-2-4-15(11-14)18(20)21/h2-11H,1H3,(H,17,19).
What are the key properties of 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide?
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide has a molecular weight of 282.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 759724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).