3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide

C21H25ClN2O2 — CID 112506584

IUPAC3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(Cl)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-16-6-8-17(9-7-16)20(24-10-12-26-13-11-24)15-23-21(25)18-4-3-5-19(22)14-18/h3-9,14,20H,2,10-13,15H2,1H3,(H,23,25)
InChIKeyCEMCFQVKLSJTEJ-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.71
Rot. Bonds6

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

3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 112506584) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID112506584
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCc1ccc(C(CNC(=O)c2cccc(Cl)c2)N2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-16-6-8-17(9-7-16)20(24-10-12-26-13-11-24)15-23-21(25)18-4-3-5-19(22)14-18/h3-9,14,20H,2,10-13,15H2,1H3,(H,23,25)
InChIKeyCEMCFQVKLSJTEJ-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 35579010
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988
3-bromo-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]benzamide
CID 29090501
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-ethoxy-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35672261
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 112506584) is 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide is CCc1ccc(C(CNC(=O)c2cccc(Cl)c2)N2CCOCC2)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is CEMCFQVKLSJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-16-6-8-17(9-7-16)20(24-10-12-26-13-11-24)15-23-21(25)18-4-3-5-19(22)14-18/h3-9,14,20H,2,10-13,15H2,1H3,(H,23,25).
What are the key properties of 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide?
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 112506584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).