(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide

C15H17Cl2NO — CID 114549744

IUPAC(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H17Cl2NO/c1-10-5-6-11(9-10)18-15(19)8-7-12-13(16)3-2-4-14(12)17/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,18,19)/b8-7+
InChIKeyYUHLJNIIFQLJFW-BQYQJAHWSA-N
MW298.21 g/mol
LogP4.31
Rot. Bonds3

About (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide (PubChem CID 114549744) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
PubChem CID114549744
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C15H17Cl2NO/c1-10-5-6-11(9-10)18-15(19)8-7-12-13(16)3-2-4-14(12)17/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,18,19)/b8-7+
InChIKeyYUHLJNIIFQLJFW-BQYQJAHWSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 14967663
3-(2-chloro-6-fluorophenyl)-N-cyclopropylprop-2-enamide
CID 3685780
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549911
(E)-3-(2-chloro-6-fluorophenyl)-N-cyclohexylprop-2-enamide
CID 896747
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
2-(2-chlorophenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549493
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
3-chloro-2-fluoro-N-(3-methylcyclopentyl)benzamide
CID 114550116
(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 114550050
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
3-[3-(2,5-dichlorophenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110070

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide (CID 114549744) is (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide is CC1CCC(NC(=O)/C=C/c2c(Cl)cccc2Cl)C1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The InChIKey is YUHLJNIIFQLJFW-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-10-5-6-11(9-10)18-15(19)8-7-12-13(16)3-2-4-14(12)17/h2-4,7-8,10-11H,5-6,9H2,1H3,(H,18,19)/b8-7+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide has a molecular weight of 298.21 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide is sourced from PubChem (CID 114549744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).