(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide

C19H20ClNO — CID 92680336

IUPAC(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
SMILESCC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H20ClNO/c1-3-18(16-10-8-14(2)9-11-16)21-19(22)13-12-15-6-4-5-7-17(15)20/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-12+/t18-/m0/s1
InChIKeyLCLIHVYARQCWBE-HHNLSAEISA-N
MW313.83 g/mol
LogP4.93
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide (PubChem CID 92680336) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
PubChem CID92680336
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
SMILESCC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C19H20ClNO/c1-3-18(16-10-8-14(2)9-11-16)21-19(22)13-12-15-6-4-5-7-17(15)20/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-12+/t18-/m0/s1
InChIKeyLCLIHVYARQCWBE-HHNLSAEISA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
(E)-3-(2-chlorophenyl)-N-pentan-2-ylprop-2-enamide
CID 6089494
(E)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17328319
(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17328320
(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9091058
3-(2-chlorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]prop-2-enamide
CID 2884623
3-(2-chlorophenyl)-N-[[(4-methylphenyl)carbamothioylamino]carbamothioyl]prop-2-enamide
CID 4509356
3-(2-chlorophenyl)-N-(1-phenylethylcarbamothioyl)prop-2-enamide
CID 4508709
(E)-N-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide (CID 92680336) is (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide is CC[C@H](NC(=O)/C=C/c1ccccc1Cl)c1ccc(C)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide?
The InChIKey is LCLIHVYARQCWBE-HHNLSAEISA-N. The full InChI is InChI=1S/C19H20ClNO/c1-3-18(16-10-8-14(2)9-11-16)21-19(22)13-12-15-6-4-5-7-17(15)20/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-12+/t18-/m0/s1.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide has a molecular weight of 313.83 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide is sourced from PubChem (CID 92680336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).