N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide

C14H18BrNO2 — CID 80659305

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(CCBr)C1CCCC1
InChIInChI=1S/C14H18BrNO2/c15-9-10-16(11-5-1-2-6-11)14(18)12-7-3-4-8-13(12)17/h3-4,7-8,11,17H,1-2,5-6,9-10H2
InChIKeyRARZJFLOZUXKSV-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.17
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide

N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide (PubChem CID 80659305) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
PubChem CID80659305
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(CCBr)C1CCCC1
InChIInChI=1S/C14H18BrNO2/c15-9-10-16(11-5-1-2-6-11)14(18)12-7-3-4-8-13(12)17/h3-4,7-8,11,17H,1-2,5-6,9-10H2
InChIKeyRARZJFLOZUXKSV-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(2-bromoethyl)-N-cyclopentyl-2-ethoxybenzamide
CID 80659872
N-(2-bromoethyl)-N-cyclohexyl-2-nitrobenzamide
CID 80652468
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide (CID 80659305) is N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide is O=C(c1ccccc1O)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide?
The InChIKey is RARZJFLOZUXKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-9-10-16(11-5-1-2-6-11)14(18)12-7-3-4-8-13(12)17/h3-4,7-8,11,17H,1-2,5-6,9-10H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide?
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide is sourced from PubChem (CID 80659305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).