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

C15H18ClNO — CID 14967663

IUPAC(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClNO/c1-11-2-8-14(10-11)17-15(18)9-5-12-3-6-13(16)7-4-12/h3-7,9,11,14H,2,8,10H2,1H3,(H,17,18)/b9-5+
InChIKeyMDWNLEQUASCSMA-WEVVVXLNSA-N
MW263.77 g/mol
LogP3.66
Rot. Bonds3

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

(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide (PubChem CID 14967663) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
PubChem CID14967663
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H18ClNO/c1-11-2-8-14(10-11)17-15(18)9-5-12-3-6-13(16)7-4-12/h3-7,9,11,14H,2,8,10H2,1H3,(H,17,18)/b9-5+
InChIKeyMDWNLEQUASCSMA-WEVVVXLNSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.66
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-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549744
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549911
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549802
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 3108456
(E)-3-(4-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide
CID 46566592
3-[3-(4-hydroxyphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77110079
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
tert-butyl N-[[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]cyclobutyl]methyl]carbamate
CID 177211599
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(4-aminophenyl)-N-(2,4-dimethylcyclohexyl)prop-2-enamide
CID 115344222
(E)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-chlorophenyl)prop-2-enamide
CID 7404844

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide (CID 14967663) is (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide is CC1CCC(NC(=O)/C=C/c2ccc(Cl)cc2)C1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The InChIKey is MDWNLEQUASCSMA-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-11-2-8-14(10-11)17-15(18)9-5-12-3-6-13(16)7-4-12/h3-7,9,11,14H,2,8,10H2,1H3,(H,17,18)/b9-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide has a molecular weight of 263.77 g/mol, XLogP of 3.66, 3 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-(3-methylcyclopentyl)prop-2-enamide is sourced from PubChem (CID 14967663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).