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

C15H15BrN2O — CID 126454615

IUPAC2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCC2=CCCC2)c1Br
InChIInChI=1S/C15H15BrN2O/c16-14-12(10-17)6-3-7-13(14)15(19)18-9-8-11-4-1-2-5-11/h3-4,6-7H,1-2,5,8-9H2,(H,18,19)
InChIKeyDHMAEALUNJLGCS-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.55
Rot. Bonds4

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

2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide (PubChem CID 126454615) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
PubChem CID126454615
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCC2=CCCC2)c1Br
InChIInChI=1S/C15H15BrN2O/c16-14-12(10-17)6-3-7-13(14)15(19)18-9-8-11-4-1-2-5-11/h3-4,6-7H,1-2,5,8-9H2,(H,18,19)
InChIKeyDHMAEALUNJLGCS-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 1313353
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]-2-methylbenzamide
CID 113330021
2-[(2-cyanoacetyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 168520690
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 106173273
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426
5-N-(2-cyanophenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103382
N-[2-(cyclopenten-1-yl)ethyl]-4-sulfanylbenzamide
CID 114153830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide (CID 126454615) is 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide is N#Cc1cccc(C(=O)NCCC2=CCCC2)c1Br.
What is the InChIKey of 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide?
The InChIKey is DHMAEALUNJLGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-14-12(10-17)6-3-7-13(14)15(19)18-9-8-11-4-1-2-5-11/h3-4,6-7H,1-2,5,8-9H2,(H,18,19).
What are the key properties of 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide?
2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyano-N-[2-(cyclopenten-1-yl)ethyl]benzamide is sourced from PubChem (CID 126454615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).