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

C16H14N2O3 — CID 2303612

IUPAC(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O3/c1-12-6-9-14(10-7-12)17-16(19)11-8-13-4-2-3-5-15(13)18(20)21/h2-11H,1H3,(H,17,19)/b11-8-
InChIKeyITTDNNMGQZVXIE-FLIBITNWSA-N
MW282.30 g/mol
LogP3.56
Rot. Bonds4

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

(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 2303612) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID2303612
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O3/c1-12-6-9-14(10-7-12)17-16(19)11-8-13-4-2-3-5-15(13)18(20)21/h2-11H,1H3,(H,17,19)/b11-8-
InChIKeyITTDNNMGQZVXIE-FLIBITNWSA-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

N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
[2-(4-methylanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2533920
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678296
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 43019548
propyl 4-[3-(2-nitrophenyl)prop-2-enoylamino]benzoate
CID 4252749
methyl 2-chloro-5-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 38236759
N-[4-(butylsulfamoyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 2938761
(E)-N-(3-acetamido-4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 33307679
3-(2-nitrophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]prop-2-enamide
CID 3986724
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
(E)-N'-acetyl-3-(2-nitrophenyl)prop-2-enehydrazide
CID 30769477

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide (CID 2303612) is (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is ITTDNNMGQZVXIE-FLIBITNWSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-12-6-9-14(10-7-12)17-16(19)11-8-13-4-2-3-5-15(13)18(20)21/h2-11H,1H3,(H,17,19)/b11-8-.
What are the key properties of (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide?
(Z)-N-(4-methylphenyl)-3-(2-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 (Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2303612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).