N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide

C12H15ClN2O2 — CID 115177410

IUPACN-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
SMILESCN(C(=O)C1CNCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-15(10-4-2-9(13)3-5-10)12(16)11-8-14-6-7-17-11/h2-5,11,14H,6-8H2,1H3
InChIKeyPXGOWIJZCRZMDC-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.29
Rot. Bonds2

About N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide

N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide (PubChem CID 115177410) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
PubChem CID115177410
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
SMILESCN(C(=O)C1CNCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-15(10-4-2-9(13)3-5-10)12(16)11-8-14-6-7-17-11/h2-5,11,14H,6-8H2,1H3
InChIKeyPXGOWIJZCRZMDC-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119706070
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
CID 115177440
N-(6-chloropyrimidin-4-yl)-N-methylmorpholine-2-carboxamide
CID 126486008
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
CID 119688888
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
N-[methoxy(dimethyl)silyl]-N-methylmorpholine-2-carboxamide
CID 69339522
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide (CID 115177410) is N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide is CN(C(=O)C1CNCCO1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide?
The InChIKey is PXGOWIJZCRZMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-15(10-4-2-9(13)3-5-10)12(16)11-8-14-6-7-17-11/h2-5,11,14H,6-8H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide?
N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 115177410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).