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

C13H17ClF2N2O3 — CID 119762990

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(OC(F)F)c1)C1COCCN1
InChIInChI=1S/C13H16F2N2O3.ClH/c14-13(15)20-10-3-1-2-9(6-10)7-17-12(18)11-8-19-5-4-16-11;/h1-3,6,11,13,16H,4-5,7-8H2,(H,17,18);1H
InChIKeyBEGHOKBBQDBHAI-UHFFFAOYSA-N
MW322.74 g/mol
LogP1.31
Rot. Bonds5

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

N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119762990) has the molecular formula C13H17ClF2N2O3 and a molecular weight of 322.74 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119762990
Molecular FormulaC13H17ClF2N2O3
Molecular Weight322.74 g/mol
Exact Mass322.09
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccc(OC(F)F)c1)C1COCCN1
InChIInChI=1S/C13H16F2N2O3.ClH/c14-13(15)20-10-3-1-2-9(6-10)7-17-12(18)11-8-19-5-4-16-11;/h1-3,6,11,13,16H,4-5,7-8H2,(H,17,18);1H
InChIKeyBEGHOKBBQDBHAI-UHFFFAOYSA-N
XLogP1.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119845730
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119719720
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120629345
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
3-[2-[3-(difluoromethoxy)phenyl]ethyl]morpholine
CID 104704090
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119762990) is N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCc1cccc(OC(F)F)c1)C1COCCN1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is BEGHOKBBQDBHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3.ClH/c14-13(15)20-10-3-1-2-9(6-10)7-17-12(18)11-8-19-5-4-16-11;/h1-3,6,11,13,16H,4-5,7-8H2,(H,17,18);1H.
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 322.74 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119762990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).