4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide

C13H15BrClNO2 — CID 102872665

IUPAC4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
SMILESO=C(c1ccc(Br)cc1O)N(CCCl)C1CCC1
InChIInChI=1S/C13H15BrClNO2/c14-9-4-5-11(12(17)8-9)13(18)16(7-6-15)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeySFZTXYJUQIQCJQ-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.39
Rot. Bonds4

About 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide

4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide (PubChem CID 102872665) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
PubChem CID102872665
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
SMILESO=C(c1ccc(Br)cc1O)N(CCCl)C1CCC1
InChIInChI=1S/C13H15BrClNO2/c14-9-4-5-11(12(17)8-9)13(18)16(7-6-15)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2
InChIKeySFZTXYJUQIQCJQ-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.39
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

4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
4-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391545
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide (CID 102872665) is 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide is O=C(c1ccc(Br)cc1O)N(CCCl)C1CCC1.
What is the InChIKey of 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide?
The InChIKey is SFZTXYJUQIQCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-9-4-5-11(12(17)8-9)13(18)16(7-6-15)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7H2.
What are the key properties of 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide?
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide has a molecular weight of 332.63 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide is sourced from PubChem (CID 102872665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).