(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide

C15H18BrNO — CID 114549911

IUPAC(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2cccc(Br)c2)C1
InChIInChI=1S/C15H18BrNO/c1-11-5-7-14(9-11)17-15(18)8-6-12-3-2-4-13(16)10-12/h2-4,6,8,10-11,14H,5,7,9H2,1H3,(H,17,18)/b8-6+
InChIKeyLOQQBRUSXWZINB-SOFGYWHQSA-N
MW308.22 g/mol
LogP3.77
Rot. Bonds3

About (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide

(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide (PubChem CID 114549911) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
PubChem CID114549911
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
SMILESCC1CCC(NC(=O)/C=C/c2cccc(Br)c2)C1
InChIInChI=1S/C15H18BrNO/c1-11-5-7-14(9-11)17-15(18)8-6-12-3-2-4-13(16)10-12/h2-4,6,8,10-11,14H,5,7,9H2,1H3,(H,17,18)/b8-6+
InChIKeyLOQQBRUSXWZINB-SOFGYWHQSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.77
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-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
(E)-3-(3-bromophenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide
CID 9264849
(E)-3-(4-chlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 14967663
(E)-3-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549744
(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
CID 115344331
3-(3-bromophenyl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941453
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549802
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
N-cyclopropyl-3-(3-methoxyphenyl)prop-2-enamide
CID 78488507
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(3-bromophenyl)prop-2-enehydrazide
CID 43236571

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide (CID 114549911) is (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide is CC1CCC(NC(=O)/C=C/c2cccc(Br)c2)C1.
What is the InChIKey of (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
The InChIKey is LOQQBRUSXWZINB-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-11-5-7-14(9-11)17-15(18)8-6-12-3-2-4-13(16)10-12/h2-4,6,8,10-11,14H,5,7,9H2,1H3,(H,17,18)/b8-6+.
What are the key properties of (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide?
(E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide has a molecular weight of 308.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-N-(3-methylcyclopentyl)prop-2-enamide is sourced from PubChem (CID 114549911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).