(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide

C13H17ClN2O2 — CID 124983793

IUPAC(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NCc2cccc(Cl)c2)CNCCO1
InChIInChI=1S/C13H17ClN2O2/c1-13(9-15-5-6-18-13)12(17)16-8-10-3-2-4-11(14)7-10/h2-4,7,15H,5-6,8-9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyNGENFUUDBABUBY-ZDUSSCGKSA-N
MW268.74 g/mol
LogP1.33
Rot. Bonds3

About (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide

(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide (PubChem CID 124983793) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
PubChem CID124983793
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NCc2cccc(Cl)c2)CNCCO1
InChIInChI=1S/C13H17ClN2O2/c1-13(9-15-5-6-18-13)12(17)16-8-10-3-2-4-11(14)7-10/h2-4,7,15H,5-6,8-9H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyNGENFUUDBABUBY-ZDUSSCGKSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124983792
(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 125000351
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
6-[(3-chlorophenyl)methyl]-6-methyl-1,4-oxazepane
CID 82292610
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide (CID 124983793) is (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide is C[C@@]1(C(=O)NCc2cccc(Cl)c2)CNCCO1.
What is the InChIKey of (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is NGENFUUDBABUBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(9-15-5-6-18-13)12(17)16-8-10-3-2-4-11(14)7-10/h2-4,7,15H,5-6,8-9H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide?
(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124983793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).