3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide

C15H18BrNO — CID 113330021

IUPAC3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCCC1=CCCC1
InChIInChI=1S/C15H18BrNO/c1-11-13(7-4-8-14(11)16)15(18)17-10-9-12-5-2-3-6-12/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,18)
InChIKeyAJJCOFMHSSDHFH-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.99
Rot. Bonds4

About 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide

3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide (PubChem CID 113330021) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
PubChem CID113330021
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCCC1=CCCC1
InChIInChI=1S/C15H18BrNO/c1-11-13(7-4-8-14(11)16)15(18)17-10-9-12-5-2-3-6-12/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,18)
InChIKeyAJJCOFMHSSDHFH-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
CID 126454615
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
2-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 106173273
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]thiophene-2-carboxamide
CID 103842230
3-bromo-N-(3-hydroxy-3-phenylpropyl)-2-methylbenzamide
CID 111471803
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 45353889

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide (CID 113330021) is 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NCCC1=CCCC1.
What is the InChIKey of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide?
The InChIKey is AJJCOFMHSSDHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-11-13(7-4-8-14(11)16)15(18)17-10-9-12-5-2-3-6-12/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide?
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide has a molecular weight of 308.22 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113330021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).