N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide

C14H19ClN2O2 — CID 115589168

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-11(12-4-3-5-13(15)10-12)16(2)14(18)17-6-8-19-9-7-17/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZPJIXYBPJNYDLS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.79
Rot. Bonds2

About N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide (PubChem CID 115589168) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
PubChem CID115589168
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H19ClN2O2/c1-11(12-4-3-5-13(15)10-12)16(2)14(18)17-6-8-19-9-7-17/h3-5,10-11H,6-9H2,1-2H3
InChIKeyZPJIXYBPJNYDLS-UHFFFAOYSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60559067
2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
CID 111487350
N-methyl-N-(1-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 115575769
(2R)-1-[1-(3-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923305
3-[1-(3-chlorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115713477
1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
CID 115759275
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide (CID 115589168) is N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)N1CCOCC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide?
The InChIKey is ZPJIXYBPJNYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11(12-4-3-5-13(15)10-12)16(2)14(18)17-6-8-19-9-7-17/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 115589168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).