(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide

C16H19Cl2NO2 — CID 102635562

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(Cl)cc1Cl)C1CCCCC1O
InChIInChI=1S/C16H19Cl2NO2/c1-19(14-4-2-3-5-15(14)20)16(21)9-7-11-6-8-12(17)10-13(11)18/h6-10,14-15,20H,2-5H2,1H3/b9-7+
InChIKeyGUYREORDKXYXDB-VQHVLOKHSA-N
MW328.24 g/mol
LogP3.77
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide (PubChem CID 102635562) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide
PubChem CID102635562
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccc(Cl)cc1Cl)C1CCCCC1O
InChIInChI=1S/C16H19Cl2NO2/c1-19(14-4-2-3-5-15(14)20)16(21)9-7-11-6-8-12(17)10-13(11)18/h6-10,14-15,20H,2-5H2,1H3/b9-7+
InChIKeyGUYREORDKXYXDB-VQHVLOKHSA-N
XLogP3.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 19061812
(E)-N-cycloheptyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 895594
(E)-N-cyclooctyl-3-(2,4-dichlorophenyl)prop-2-enamide
CID 6042674
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
1-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42893841
2-[carboxymethyl-[3-(2,4-dichlorophenyl)prop-2-enoyl]amino]acetic acid
CID 77003345
(E)-3-(2,4-dichlorophenyl)-N,N-diphenylprop-2-enamide
CID 2343564
3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051
3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(E)-3-(2,4-dichlorophenyl)-N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 60740083
(E)-3-(2,4-dichlorophenyl)-N-[3-[4-[methyl-[(1R,2S)-2-methylcyclohexyl]amino]piperidin-1-yl]propyl]prop-2-enamide
CID 92662572
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide (CID 102635562) is (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1ccc(Cl)cc1Cl)C1CCCCC1O.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide?
The InChIKey is GUYREORDKXYXDB-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-19(14-4-2-3-5-15(14)20)16(21)9-7-11-6-8-12(17)10-13(11)18/h6-10,14-15,20H,2-5H2,1H3/b9-7+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide has a molecular weight of 328.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide is sourced from PubChem (CID 102635562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).