2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide

C13H14BrNO — CID 115766037

IUPAC2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC=CC2)c(Br)c1
InChIInChI=1S/C13H14BrNO/c1-9-6-7-11(12(14)8-9)13(16)15-10-4-2-3-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,15,16)
InChIKeyVLNKGWXERSYWAV-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.21
Rot. Bonds2

About 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide

2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide (PubChem CID 115766037) 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-4-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
PubChem CID115766037
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC=CC2)c(Br)c1
InChIInChI=1S/C13H14BrNO/c1-9-6-7-11(12(14)8-9)13(16)15-10-4-2-3-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,15,16)
InChIKeyVLNKGWXERSYWAV-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

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CID 106995466
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2-bromo-N-cyclopent-3-en-1-yl-3-methylbenzamide
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2-bromo-N',N',4-trimethylbenzohydrazide
CID 83016175
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cyclopent-3-en-1-yl-2-hydroxy-3-methylbenzamide
CID 115696804
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
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2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide?
The IUPAC name of 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide (CID 115766037) is 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC=CC2)c(Br)c1.
What is the InChIKey of 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide?
The InChIKey is VLNKGWXERSYWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-9-6-7-11(12(14)8-9)13(16)15-10-4-2-3-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide?
2-bromo-N-cyclopent-3-en-1-yl-4-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-4-methylbenzamide is sourced from PubChem (CID 115766037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).