N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide

C18H19ClN2O2 — CID 110369345

IUPACN-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
SMILESCC1COC(c2ccccc2)CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13-12-23-17(14-6-3-2-4-7-14)11-21(13)18(22)20-16-9-5-8-15(19)10-16/h2-10,13,17H,11-12H2,1H3,(H,20,22)
InChIKeyYSZYSWLSDSVMJC-UHFFFAOYSA-N
MW330.81 g/mol
LogP4.33
Rot. Bonds2

About N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide

N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide (PubChem CID 110369345) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
PubChem CID110369345
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide
SMILESCC1COC(c2ccccc2)CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-13-12-23-17(14-6-3-2-4-7-14)11-21(13)18(22)20-16-9-5-8-15(19)10-16/h2-10,13,17H,11-12H2,1H3,(H,20,22)
InChIKeyYSZYSWLSDSVMJC-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
N-(3-acetylphenyl)-2,5-dimethylmorpholine-4-carboxamide
CID 61345863
(4S)-4-[(2R,5R)-2-(3-chlorophenyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 124729288
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 99823473
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
CID 95979779

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide (CID 110369345) is N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide is CC1COC(c2ccccc2)CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide?
The InChIKey is YSZYSWLSDSVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-12-23-17(14-6-3-2-4-7-14)11-21(13)18(22)20-16-9-5-8-15(19)10-16/h2-10,13,17H,11-12H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide?
N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide has a molecular weight of 330.81 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 110369345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).