N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride

C14H20ClFN2O2 — CID 119814166

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)C1COCCN1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-10-8-12(15)3-2-11(10)4-5-17-14(18)13-9-19-7-6-16-13;/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,18);1H
InChIKeyUGUISOIUHJWIBF-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.20
Rot. Bonds4

About N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride

N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119814166) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119814166
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)C1COCCN1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-10-8-12(15)3-2-11(10)4-5-17-14(18)13-9-19-7-6-16-13;/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,18);1H
InChIKeyUGUISOIUHJWIBF-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073
N-[2-(5-bromo-2-methylphenyl)ethyl]morpholine-3-carboxamide
CID 115177656
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637776
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740349
N-[2-(7-methyl-1H-indol-3-yl)ethyl]morpholine-3-carboxamide
CID 119781320
N-[3-(4-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119757179
N-[4-(4-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119695885
N-[2-(3,5-dichlorophenyl)ethyl]morpholine-3-carboxamide
CID 119752644
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119830916
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride (CID 119814166) is N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride is Cc1cc(F)ccc1CCNC(=O)C1COCCN1.Cl.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is UGUISOIUHJWIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c1-10-8-12(15)3-2-11(10)4-5-17-14(18)13-9-19-7-6-16-13;/h2-3,8,13,16H,4-7,9H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride?
N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119814166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).