(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide

C22H18ClNO — CID 19174131

IUPAC(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
SMILESCc1cc(Cl)ccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO/c1-16-14-19(23)12-13-21(16)24-22(25)20(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25)/b20-15+
InChIKeyQKEFWVQIDYELJW-HMMYKYKNSA-N
MW347.85 g/mol
LogP5.83
Rot. Bonds4

About (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide

(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide (PubChem CID 19174131) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
PubChem CID19174131
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
SMILESCc1cc(Cl)ccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO/c1-16-14-19(23)12-13-21(16)24-22(25)20(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25)/b20-15+
InChIKeyQKEFWVQIDYELJW-HMMYKYKNSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 2276931
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
(E)-N-[(4-chloro-2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide
CID 44726118
(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 6261301
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide (CID 19174131) is (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide is Cc1cc(Cl)ccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is QKEFWVQIDYELJW-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H18ClNO/c1-16-14-19(23)12-13-21(16)24-22(25)20(18-10-6-3-7-11-18)15-17-8-4-2-5-9-17/h2-15H,1H3,(H,24,25)/b20-15+.
What are the key properties of (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide?
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 347.85 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19174131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).