(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide

C14H19ClN2O2 — CID 125000351

IUPAC(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
SMILESCN1CCO[C@@](C)(C(=O)NCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(10-17(2)6-7-19-14)13(18)16-9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyRVFVFDHBNGJLNP-CQSZACIVSA-N
MW282.77 g/mol
LogP1.68
Rot. Bonds3

About (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide

(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide (PubChem CID 125000351) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
PubChem CID125000351
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
SMILESCN1CCO[C@@](C)(C(=O)NCc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(10-17(2)6-7-19-14)13(18)16-9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyRVFVFDHBNGJLNP-CQSZACIVSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124983793
(2R)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124983792
N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 127247774
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 110267598
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969637
1-[(3-chlorophenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]urea
CID 110615230
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
2-methyl-4-methylsulfonyl-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 110094614
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
2-[1-[(3-chlorophenyl)methylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658865

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide (CID 125000351) is (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide is CN1CCO[C@@](C)(C(=O)NCc2cccc(Cl)c2)C1.
What is the InChIKey of (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
The InChIKey is RVFVFDHBNGJLNP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(10-17(2)6-7-19-14)13(18)16-9-11-4-3-5-12(15)8-11/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 125000351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).