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

C14H19ClN2O2 — CID 885892

IUPAC2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-11-2-3-12(13(15)10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyVXLOCUJBFKOMFC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.71
Rot. Bonds4

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

2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 885892) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID885892
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-11-2-3-12(13(15)10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)
InChIKeyVXLOCUJBFKOMFC-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Moclobemide
CID 4235
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
4-(2-Chlorobenzoyl)-morpholine
CID 225451
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
4-(3,5-Dichlorobenzoyl)morpholine
CID 790875
Benzamide, N-(2-(2-chlorophenyl)-1-(4-morpholinylcarbonyl)ethenyl)-, (E)-
CID 1711976
1-(4-Chlorobenzoyl)piperazine
CID 4101484
Ro 12-8095
CID 126278
3-chloro-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 745369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 885892) is 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)NCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VXLOCUJBFKOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11-2-3-12(13(15)10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).