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

C11H13BrClNO2 — CID 63395588

IUPAC4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
SMILESCCN(CCCl)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H13BrClNO2/c1-2-14(6-5-13)11(16)9-4-3-8(12)7-10(9)15/h3-4,7,15H,2,5-6H2,1H3
InChIKeyFDYWZGJZSJLWQU-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.86
Rot. Bonds4

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

4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide (PubChem CID 63395588) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
PubChem CID63395588
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
SMILESCCN(CCCl)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C11H13BrClNO2/c1-2-14(6-5-13)11(16)9-4-3-8(12)7-10(9)15/h3-4,7,15H,2,5-6H2,1H3
InChIKeyFDYWZGJZSJLWQU-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.86
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-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
N-(3-amino-3-hydroxyiminopropyl)-4-bromo-N-ethyl-2-hydroxybenzamide
CID 76922764
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306
3-[(4-bromo-2-methylbenzoyl)-ethylamino]propanoic acid
CID 54898490

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide (CID 63395588) is 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide is CCN(CCCl)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
The InChIKey is FDYWZGJZSJLWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-2-14(6-5-13)11(16)9-4-3-8(12)7-10(9)15/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide has a molecular weight of 306.59 g/mol, XLogP of 2.86, 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-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 63395588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).