4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide

C18H25ClN2O3 — CID 37034025

IUPAC4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C)C1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)10-16(18(23)21-8-9-24-13(3)11-21)20-17(22)14-4-6-15(19)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyZHYJTHBIOLGYMY-CJNGLKHVSA-N
MW352.86 g/mol
LogP2.73
Rot. Bonds5

About 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide

4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide (PubChem CID 37034025) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
PubChem CID37034025
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C)C1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)10-16(18(23)21-8-9-24-13(3)11-21)20-17(22)14-4-6-15(19)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,22)/t13-,16+/m1/s1
InChIKeyZHYJTHBIOLGYMY-CJNGLKHVSA-N
XLogP2.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
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1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
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4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
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4-chloro-N-[4-methyl-1-(1-morpholin-4-ylpropan-2-ylamino)-1-oxopentan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide (CID 37034025) is 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide is CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C)C1.
What is the InChIKey of 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide?
The InChIKey is ZHYJTHBIOLGYMY-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-12(2)10-16(18(23)21-8-9-24-13(3)11-21)20-17(22)14-4-6-15(19)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,22)/t13-,16+/m1/s1.
What are the key properties of 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide?
4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide has a molecular weight of 352.86 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 37034025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).