N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride

C15H21ClF2N2O4 — CID 119816481

IUPACN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)C2COCCN2)c1OC(F)F.Cl
InChIInChI=1S/C15H20F2N2O4.ClH/c1-2-22-12-5-3-4-10(13(12)23-15(16)17)8-19-14(20)11-9-21-7-6-18-11;/h3-5,11,15,18H,2,6-9H2,1H3,(H,19,20);1H
InChIKeyFQKIPMFZIUSHFY-UHFFFAOYSA-N
MW366.79 g/mol
LogP1.71
Rot. Bonds7

About N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119816481) has the molecular formula C15H21ClF2N2O4 and a molecular weight of 366.79 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119816481
Molecular FormulaC15H21ClF2N2O4
Molecular Weight366.79 g/mol
Exact Mass366.12
IUPAC NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)C2COCCN2)c1OC(F)F.Cl
InChIInChI=1S/C15H20F2N2O4.ClH/c1-2-22-12-5-3-4-10(13(12)23-15(16)17)8-19-14(20)11-9-21-7-6-18-11;/h3-5,11,15,18H,2,6-9H2,1H3,(H,19,20);1H
InChIKeyFQKIPMFZIUSHFY-UHFFFAOYSA-N
XLogP1.71
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669116
N-[2-(2-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119804849
N-[2-(2-fluorophenoxy)butyl]morpholine-3-carboxamide
CID 119813317

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119816481) is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride is CCOc1cccc(CNC(=O)C2COCCN2)c1OC(F)F.Cl.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is FQKIPMFZIUSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4.ClH/c1-2-22-12-5-3-4-10(13(12)23-15(16)17)8-19-14(20)11-9-21-7-6-18-11;/h3-5,11,15,18H,2,6-9H2,1H3,(H,19,20);1H.
What are the key properties of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 366.79 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119816481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).