(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide

C13H17ClN2O3 — CID 120917710

IUPAC(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8-12(15-5-6-19-8)13(17)16-9-3-4-11(18-2)10(14)7-9/h3-4,7-8,12,15H,5-6H2,1-2H3,(H,16,17)/t8-,12+/m1/s1
InChIKeyIVBWCUPFFJFYLE-PELKAZGASA-N
MW284.74 g/mol
LogP1.66
Rot. Bonds3

About (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120917710) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
PubChem CID120917710
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8-12(15-5-6-19-8)13(17)16-9-3-4-11(18-2)10(14)7-9/h3-4,7-8,12,15H,5-6H2,1-2H3,(H,16,17)/t8-,12+/m1/s1
InChIKeyIVBWCUPFFJFYLE-PELKAZGASA-N
XLogP1.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120923488
(2R,3S)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926431
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939327
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930391
(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120926979
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide (CID 120917710) is (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide is COc1ccc(NC(=O)[C@H]2NCCO[C@@H]2C)cc1Cl.
What is the InChIKey of (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is IVBWCUPFFJFYLE-PELKAZGASA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8-12(15-5-6-19-8)13(17)16-9-3-4-11(18-2)10(14)7-9/h3-4,7-8,12,15H,5-6H2,1-2H3,(H,16,17)/t8-,12+/m1/s1.
What are the key properties of (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 284.74 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120917710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).