(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide

C21H15ClN2O3 — CID 2269158

IUPAC(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-17-9-11-18(12-10-17)23-21(25)20(16-6-2-1-3-7-16)14-15-5-4-8-19(13-15)24(26)27/h1-14H,(H,23,25)/b20-14+
InChIKeyNGEUDOBRNUMNTG-XSFVSMFZSA-N
MW378.82 g/mol
LogP5.43
Rot. Bonds5

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

(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (PubChem CID 2269158) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
PubChem CID2269158
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESO=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-17-9-11-18(12-10-17)23-21(25)20(16-6-2-1-3-7-16)14-15-5-4-8-19(13-15)24(26)27/h1-14H,(H,23,25)/b20-14+
InChIKeyNGEUDOBRNUMNTG-XSFVSMFZSA-N
XLogP5.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.43
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'}

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Related Compounds

(Z)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1334103
(E)-N-(4-bromo-3-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126274701
(E)-N-(4-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 126035738
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2276931
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
(Z)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 28589955
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
(2E)-N-(4-nitrophenyl)-2-[(3-nitrophenyl)methylidene]-3-oxobutanamide
CID 7912090

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide (CID 2269158) is (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
The InChIKey is NGEUDOBRNUMNTG-XSFVSMFZSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-17-9-11-18(12-10-17)23-21(25)20(16-6-2-1-3-7-16)14-15-5-4-8-19(13-15)24(26)27/h1-14H,(H,23,25)/b20-14+.
What are the key properties of (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide?
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide has a molecular weight of 378.82 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2269158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).