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

C21H15ClN2O3 — CID 1322752

IUPAC3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-20-12-5-4-9-16(20)13-19(15-7-2-1-3-8-15)21(25)23-17-10-6-11-18(14-17)24(26)27/h1-14H,(H,23,25)
InChIKeyRKMXWIWTUJRIDF-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.43
Rot. Bonds5

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

3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide (PubChem CID 1322752) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
PubChem CID1322752
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-20-12-5-4-9-16(20)13-19(15-7-2-1-3-8-15)21(25)23-17-10-6-11-18(14-17)24(26)27/h1-14H,(H,23,25)
InChIKeyRKMXWIWTUJRIDF-UHFFFAOYSA-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

N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
(E)-N-(4-chlorophenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2269158
(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
N-(3-methylsulfanylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1302186
(Z)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylprop-2-enamide
CID 1290804
(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
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene
CID 11529210
1-(3,4-dichlorophenyl)-3-(3-nitrophenyl)thiourea
CID 2200080
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide (CID 1322752) is 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide is O=C(Nc1cccc([N+](=O)[O-])c1)C(=Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide?
The InChIKey is RKMXWIWTUJRIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-20-12-5-4-9-16(20)13-19(15-7-2-1-3-8-15)21(25)23-17-10-6-11-18(14-17)24(26)27/h1-14H,(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide?
3-(2-chlorophenyl)-N-(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 3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1322752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).