(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide

C22H17ClN2O3 — CID 2276931

IUPAC(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESCc1cc(Cl)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C22H17ClN2O3/c1-15-12-18(23)10-11-21(15)24-22(26)20(17-7-3-2-4-8-17)14-16-6-5-9-19(13-16)25(27)28/h2-14H,1H3,(H,24,26)/b20-14+
InChIKeyZMZQIIZZFRGEQV-XSFVSMFZSA-N
MW392.84 g/mol
LogP5.74
Rot. Bonds5

About (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide

(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (PubChem CID 2276931) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
PubChem CID2276931
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESCc1cc(Cl)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C22H17ClN2O3/c1-15-12-18(23)10-11-21(15)24-22(26)20(17-7-3-2-4-8-17)14-16-6-5-9-19(13-16)25(27)28/h2-14H,1H3,(H,24,26)/b20-14+
InChIKeyZMZQIIZZFRGEQV-XSFVSMFZSA-N
XLogP5.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.74
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(Z)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1334103
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2269158
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
(E)-N-(4-bromo-3-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126274701
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126035738
5-chloro-2-[[(E)-2-methyl-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292190
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285820
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (CID 2276931) is (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is Cc1cc(Cl)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The InChIKey is ZMZQIIZZFRGEQV-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-15-12-18(23)10-11-21(15)24-22(26)20(17-7-3-2-4-8-17)14-16-6-5-9-19(13-16)25(27)28/h2-14H,1H3,(H,24,26)/b20-14+.
What are the key properties of (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide has a molecular weight of 392.84 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2276931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).