2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide

C16H20BrNO — CID 103853497

IUPAC2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(C)c1Br)C1CCCC1
InChIInChI=1S/C16H20BrNO/c1-3-11-18(13-8-4-5-9-13)16(19)14-10-6-7-12(2)15(14)17/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3
InChIKeyLTHOOWYAQBZHPX-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.33
Rot. Bonds4

About 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide

2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide (PubChem CID 103853497) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
PubChem CID103853497
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1cccc(C)c1Br)C1CCCC1
InChIInChI=1S/C16H20BrNO/c1-3-11-18(13-8-4-5-9-13)16(19)14-10-6-7-12(2)15(14)17/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3
InChIKeyLTHOOWYAQBZHPX-UHFFFAOYSA-N
XLogP4.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide 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

2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767
2-bromo-N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107983259
2-bromo-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103857135
2-bromo-3-methyl-N-piperidin-4-yl-N-propylbenzamide
CID 107983067
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
CID 106854213
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
CID 61062387
N-cyclopentyl-4-fluoro-3-methyl-N-prop-2-enylbenzamide
CID 63213492
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
CID 107983677
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide (CID 103853497) is 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1cccc(C)c1Br)C1CCCC1.
What is the InChIKey of 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
The InChIKey is LTHOOWYAQBZHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-11-18(13-8-4-5-9-13)16(19)14-10-6-7-12(2)15(14)17/h3,6-7,10,13H,1,4-5,8-9,11H2,2H3.
What are the key properties of 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide?
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide has a molecular weight of 322.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 103853497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).