5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide

C11H13Cl2NO2 — CID 63394967

IUPAC5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
SMILESCCN(CCCl)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H13Cl2NO2/c1-2-14(6-5-12)11(16)9-7-8(13)3-4-10(9)15/h3-4,7,15H,2,5-6H2,1H3
InChIKeyFGWLWEWKFAGKQM-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.75
Rot. Bonds4

About 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide

5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide (PubChem CID 63394967) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
PubChem CID63394967
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
SMILESCCN(CCCl)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C11H13Cl2NO2/c1-2-14(6-5-12)11(16)9-7-8(13)3-4-10(9)15/h3-4,7,15H,2,5-6H2,1H3
InChIKeyFGWLWEWKFAGKQM-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.75
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

5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
3-[(2-bromo-5-chlorobenzoyl)-ethylamino]propanoic acid
CID 75516401
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233
5-chloro-2-hydroxy-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79702379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide (CID 63394967) is 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide is CCN(CCCl)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
The InChIKey is FGWLWEWKFAGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-2-14(6-5-12)11(16)9-7-8(13)3-4-10(9)15/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide?
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide has a molecular weight of 262.14 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 63394967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).