N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide

C13H17ClN2O2 — CID 81372205

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CNCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-3-2-4-11(14)7-10)16-13(17)12-8-15-5-6-18-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)/t9-,12?/m1/s1
InChIKeyWCEDOGXXKLXUNI-PKEIRNPWSA-N
MW268.74 g/mol
LogP1.51
Rot. Bonds3

About N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide (PubChem CID 81372205) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
PubChem CID81372205
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
SMILESC[C@@H](NC(=O)C1CNCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-9(10-3-2-4-11(14)7-10)16-13(17)12-8-15-5-6-18-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)/t9-,12?/m1/s1
InChIKeyWCEDOGXXKLXUNI-PKEIRNPWSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119685359
N-[1-(3-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119716523
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119788735
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119691331
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide (CID 81372205) is N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide is C[C@@H](NC(=O)C1CNCCO1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is WCEDOGXXKLXUNI-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(10-3-2-4-11(14)7-10)16-13(17)12-8-15-5-6-18-12/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)/t9-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 81372205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).