N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide

C14H17BrClNO2 — CID 80658498

IUPACN-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
SMILESO=C(c1ccc(Cl)cc1O)N(CCBr)C1CCCC1
InChIInChI=1S/C14H17BrClNO2/c15-7-8-17(11-3-1-2-4-11)14(19)12-6-5-10(16)9-13(12)18/h5-6,9,11,18H,1-4,7-8H2
InChIKeyZHZISVXPQYWXHV-UHFFFAOYSA-N
MW346.65 g/mol
LogP3.83
Rot. Bonds4

About N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide

N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide (PubChem CID 80658498) has the molecular formula C14H17BrClNO2 and a molecular weight of 346.65 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
PubChem CID80658498
Molecular FormulaC14H17BrClNO2
Molecular Weight346.65 g/mol
Exact Mass345.01
IUPAC NameN-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
SMILESO=C(c1ccc(Cl)cc1O)N(CCBr)C1CCCC1
InChIInChI=1S/C14H17BrClNO2/c15-7-8-17(11-3-1-2-4-11)14(19)12-6-5-10(16)9-13(12)18/h5-6,9,11,18H,1-4,7-8H2
InChIKeyZHZISVXPQYWXHV-UHFFFAOYSA-N
XLogP3.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide?
The IUPAC name of N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide (CID 80658498) is N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide is O=C(c1ccc(Cl)cc1O)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide?
The InChIKey is ZHZISVXPQYWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2/c15-7-8-17(11-3-1-2-4-11)14(19)12-6-5-10(16)9-13(12)18/h5-6,9,11,18H,1-4,7-8H2.
What are the key properties of N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide?
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide has a molecular weight of 346.65 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide is sourced from PubChem (CID 80658498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).