N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride

C13H18ClFN2O3 — CID 119742216

IUPACN-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2CNCCO2)cc1F.Cl
InChIInChI=1S/C13H17FN2O3.ClH/c1-2-18-11-4-3-9(7-10(11)14)16-13(17)12-8-15-5-6-19-12;/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,16,17);1H
InChIKeySXUUGUYDCFXGQQ-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.57
Rot. Bonds4

About N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride

N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119742216) has the molecular formula C13H18ClFN2O3 and a molecular weight of 304.75 g/mol. Its IUPAC name is N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119742216
Molecular FormulaC13H18ClFN2O3
Molecular Weight304.75 g/mol
Exact Mass304.10
IUPAC NameN-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2CNCCO2)cc1F.Cl
InChIInChI=1S/C13H17FN2O3.ClH/c1-2-18-11-4-3-9(7-10(11)14)16-13(17)12-8-15-5-6-19-12;/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,16,17);1H
InChIKeySXUUGUYDCFXGQQ-UHFFFAOYSA-N
XLogP1.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119723387
5-[(4-ethoxy-3-fluorophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688900
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]morpholine-2-carboxamide;dihydrochloride
CID 119865052
N-(4-ethoxy-3-fluorophenyl)morpholine-3-carboxamide
CID 112701655
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-(6-fluoro-3-pyridinyl)morpholine-2-carboxamide
CID 103808720
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(5-chloro-2-propoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119725674
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride (CID 119742216) is N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride is CCOc1ccc(NC(=O)C2CNCCO2)cc1F.Cl.
What is the InChIKey of N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is SXUUGUYDCFXGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3.ClH/c1-2-18-11-4-3-9(7-10(11)14)16-13(17)12-8-15-5-6-19-12;/h3-4,7,12,15H,2,5-6,8H2,1H3,(H,16,17);1H.
What are the key properties of N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride?
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 304.75 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119742216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).