N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride

C14H19ClF2N2O2 — CID 119807977

IUPACN-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(C1CNCCO1)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C14H18F2N2O2.ClH/c15-13(16)10-18(9-11-4-2-1-3-5-11)14(19)12-8-17-6-7-20-12;/h1-5,12-13,17H,6-10H2;1H
InChIKeyOUIJQJMFVUPPOP-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.69
Rot. Bonds5

About N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride

N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119807977) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119807977
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC NameN-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(C1CNCCO1)N(Cc1ccccc1)CC(F)F
InChIInChI=1S/C14H18F2N2O2.ClH/c15-13(16)10-18(9-11-4-2-1-3-5-11)14(19)12-8-17-6-7-20-12;/h1-5,12-13,17H,6-10H2;1H
InChIKeyOUIJQJMFVUPPOP-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119752897
N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 68673290
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119759596
N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 119875113
N-(2-methoxyethyl)-N-(3-phenylpropyl)morpholine-2-carboxamide
CID 119756078
4-[benzyl(2,2-difluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673939
2-benzyl-3-morpholin-2-yl-3-oxopropanoic acid
CID 19790783
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119715128
N-[2-[benzyl(methyl)amino]propyl]morpholine-2-carboxamide
CID 119885731

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride (CID 119807977) is N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride is Cl.O=C(C1CNCCO1)N(Cc1ccccc1)CC(F)F.
What is the InChIKey of N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is OUIJQJMFVUPPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2.ClH/c15-13(16)10-18(9-11-4-2-1-3-5-11)14(19)12-8-17-6-7-20-12;/h1-5,12-13,17H,6-10H2;1H.
What are the key properties of N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride?
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 320.77 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119807977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).