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

C19H20ClNO — CID 844531

IUPAC(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20ClNO/c1-3-18(16-9-4-14(2)5-10-16)21-19(22)13-8-15-6-11-17(20)12-7-15/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-8+/t18-/m1/s1
InChIKeyKVNUPRACGMWHPF-INMULRNOSA-N
MW313.83 g/mol
LogP4.93
Rot. Bonds5

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

(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide (PubChem CID 844531) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
PubChem CID844531
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
SMILESCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20ClNO/c1-3-18(16-9-4-14(2)5-10-16)21-19(22)13-8-15-6-11-17(20)12-7-15/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-8+/t18-/m1/s1
InChIKeyKVNUPRACGMWHPF-INMULRNOSA-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)-N-[1-(4-methylphenyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17328319
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7874167
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 92680336
(E)-4-[1-(4-chlorophenyl)propylamino]-4-oxobut-2-enoic acid
CID 54867988
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43915668
(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9091058
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297361
(E)-N-[1-(4-methylphenyl)propyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 55338673
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
(E)-N-[(2R)-butan-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 897562
(E)-3-(4-fluorophenyl)-N-(1-phenylpropyl)prop-2-enamide
CID 17327962
(E)-3-(4-chlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]prop-2-enamide
CID 28579102

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide (CID 844531) is (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide is CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide?
The InChIKey is KVNUPRACGMWHPF-INMULRNOSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-3-18(16-9-4-14(2)5-10-16)21-19(22)13-8-15-6-11-17(20)12-7-15/h4-13,18H,3H2,1-2H3,(H,21,22)/b13-8+/t18-/m1/s1.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(1R)-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-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide is sourced from PubChem (CID 844531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).