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

C13H17ClN2O2 — CID 669179

IUPAC3-chloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)
InChIKeyBUBMOYZWKAXWQP-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.40
Rot. Bonds4

About 3-chloro-N-(2-morpholin-4-ylethyl)benzamide

3-chloro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 669179) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID669179
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17)
InChIKeyBUBMOYZWKAXWQP-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

3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-chloro-N-(4-morpholin-4-ylbut-2-ynyl)benzamide
CID 71792689
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
3-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707208
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
4-(3-chlorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 4088936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-chloro-N-(2-morpholin-4-ylethyl)benzamide (CID 669179) is 3-chloro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is BUBMOYZWKAXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-3-1-2-11(10-12)13(17)15-4-5-16-6-8-18-9-7-16/h1-3,10H,4-9H2,(H,15,17).
What are the key properties of 3-chloro-N-(2-morpholin-4-ylethyl)benzamide?
3-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 3-chloro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 669179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).