2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide

C13H14BrNO — CID 103855346

IUPAC2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC=CC2)c1Br
InChIInChI=1S/C13H14BrNO/c1-9-5-4-8-11(12(9)14)13(16)15-10-6-2-3-7-10/h2-5,8,10H,6-7H2,1H3,(H,15,16)
InChIKeyUXMSFDHIMRZTEI-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.21
Rot. Bonds2

About 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide

2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide (PubChem CID 103855346) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
PubChem CID103855346
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CC=CC2)c1Br
InChIInChI=1S/C13H14BrNO/c1-9-5-4-8-11(12(9)14)13(16)15-10-6-2-3-7-10/h2-5,8,10H,6-7H2,1H3,(H,15,16)
InChIKeyUXMSFDHIMRZTEI-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.21
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-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 107983181
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
2-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 114023828
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
2-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113357096
2-bromo-3-methyl-N-(2-methylsulfanylcyclopentyl)benzamide
CID 103855203
2-bromo-3-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 103855167
2-bromo-N-(1-cyclobutylethyl)-3-methylbenzamide
CID 103855542
N-cyclopent-3-en-1-yl-2-iodobenzamide
CID 115696698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide?
The IUPAC name of 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide (CID 103855346) is 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide is Cc1cccc(C(=O)NC2CC=CC2)c1Br.
What is the InChIKey of 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide?
The InChIKey is UXMSFDHIMRZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9-5-4-8-11(12(9)14)13(16)15-10-6-2-3-7-10/h2-5,8,10H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide?
2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide has a molecular weight of 280.16 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide is sourced from PubChem (CID 103855346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).