2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide

C16H21ClN2O3 — CID 18135466

IUPAC2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
SMILESCC1CN(C(=O)CCNC(=O)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C16H21ClN2O3/c1-11-9-19(10-12(2)22-11)15(20)7-8-18-16(21)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)
InChIKeyJITHTDQUCXUBTP-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.10
Rot. Bonds4

About 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide

2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide (PubChem CID 18135466) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
PubChem CID18135466
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
SMILESCC1CN(C(=O)CCNC(=O)c2ccccc2Cl)CC(C)O1
InChIInChI=1S/C16H21ClN2O3/c1-11-9-19(10-12(2)22-11)15(20)7-8-18-16(21)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10H2,1-2H3,(H,18,21)
InChIKeyJITHTDQUCXUBTP-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
2-chloro-N-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]benzamide
CID 695632
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-1H-indole-2-carboxamide
CID 94800993
N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52514146
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
(2S)-4-[3-[(2-chlorobenzoyl)amino]propanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945451
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-chlorobenzamide
CID 7964636
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
CID 18129615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide (CID 18135466) is 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide is CC1CN(C(=O)CCNC(=O)c2ccccc2Cl)CC(C)O1.
What is the InChIKey of 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
The InChIKey is JITHTDQUCXUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11-9-19(10-12(2)22-11)15(20)7-8-18-16(21)13-5-3-4-6-14(13)17/h3-6,11-12H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide?
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide has a molecular weight of 324.81 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 18135466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).