(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide

C22H24ClNO — CID 14965454

IUPAC(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1CCCCC1Cc1ccccc1
InChIInChI=1S/C22H24ClNO/c23-20-13-10-17(11-14-20)12-15-22(25)24-21-9-5-4-8-19(21)16-18-6-2-1-3-7-18/h1-3,6-7,10-15,19,21H,4-5,8-9,16H2,(H,24,25)/b15-12+
InChIKeyAEHQIEYXHHJUJK-NTCAYCPXSA-N
MW353.89 g/mol
LogP5.27
Rot. Bonds5

About (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 14965454) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID14965454
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NC1CCCCC1Cc1ccccc1
InChIInChI=1S/C22H24ClNO/c23-20-13-10-17(11-14-20)12-15-22(25)24-21-9-5-4-8-19(21)16-18-6-2-1-3-7-18/h1-3,6-7,10-15,19,21H,4-5,8-9,16H2,(H,24,25)/b15-12+
InChIKeyAEHQIEYXHHJUJK-NTCAYCPXSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.27
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-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-chlorophenyl)prop-2-enamide
CID 7404844
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
N-(2-benzylcyclohexyl)-2,2-difluoroacetamide
CID 167792579
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide (CID 14965454) is (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)NC1CCCCC1Cc1ccccc1.
What is the InChIKey of (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is AEHQIEYXHHJUJK-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H24ClNO/c23-20-13-10-17(11-14-20)12-15-22(25)24-21-9-5-4-8-19(21)16-18-6-2-1-3-7-18/h1-3,6-7,10-15,19,21H,4-5,8-9,16H2,(H,24,25)/b15-12+.
What are the key properties of (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 353.89 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-benzylcyclohexyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 14965454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).