4-chloro-N-(2-morpholin-4-ylethyl)benzamide

C13H17ClN2O2 — CID 4235

💊View drug profile → moclobemide
IUPAC4-chloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyYHXISWVBGDMDLQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.40
Rot. Bonds4

About 4-chloro-N-(2-morpholin-4-ylethyl)benzamide

4-chloro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 4235) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID4235
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKeyYHXISWVBGDMDLQ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
N-benzyl-4-chlorobenzamide
CID 346668
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
4-Chloro-N-phenethylbenzamide
CID 306479
4-(2-Chlorobenzoyl)-morpholine
CID 225451
4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide
CID 403373
Benzamide derivative 11
CID 41306362
4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)benzamide (CID 4235) is 4-chloro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is YHXISWVBGDMDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17).
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)benzamide?
4-chloro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).