(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide

C22H18N2O3 — CID 2190509

IUPAC(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
SMILESCc1c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C22H18N2O3/c1-16-20(13-8-14-21(16)24(26)27)23-22(25)19(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-15H,1H3,(H,23,25)/b19-15-
InChIKeyFGZKDAOOWUYGMU-CYVLTUHYSA-N
MW358.40 g/mol
LogP5.08
Rot. Bonds5

About (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide

(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide (PubChem CID 2190509) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
PubChem CID2190509
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
SMILESCc1c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C22H18N2O3/c1-16-20(13-8-14-21(16)24(26)27)23-22(25)19(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-15H,1H3,(H,23,25)/b19-15-
InChIKeyFGZKDAOOWUYGMU-CYVLTUHYSA-N
XLogP5.08
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.08
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

(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(2-ethylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1326817
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2276931
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2-phenylacetamide
CID 916526
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523507
ethyl 2-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 19165915

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide (CID 2190509) is (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide is Cc1c(NC(=O)/C(=C\c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is FGZKDAOOWUYGMU-CYVLTUHYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-16-20(13-8-14-21(16)24(26)27)23-22(25)19(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-15H,1H3,(H,23,25)/b19-15-.
What are the key properties of (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide?
(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 358.40 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 2190509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).