N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide

C14H19FN2O2 — CID 115177667

IUPACN-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1COCCN1
InChIInChI=1S/C14H19FN2O2/c1-17(14(18)13-10-19-9-7-16-13)8-6-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3
InChIKeyVLCVQARJEWTWKG-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.81
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 115177667) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
PubChem CID115177667
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1COCCN1
InChIInChI=1S/C14H19FN2O2/c1-17(14(18)13-10-19-9-7-16-13)8-6-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3
InChIKeyVLCVQARJEWTWKG-UHFFFAOYSA-N
XLogP0.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
CID 115177671
N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
CID 115177679
N-methyl-N-(4-propylphenyl)morpholine-3-carboxamide
CID 115177584
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119746043
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119694754
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide (CID 115177667) is N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide is CN(CCc1ccc(F)cc1)C(=O)C1COCCN1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is VLCVQARJEWTWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(14(18)13-10-19-9-7-16-13)8-6-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 115177667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).