N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide

C14H18F2N2O2 — CID 127247774

IUPACN-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
SMILESCN1CCOC(C)(C(=O)NCc2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-14(9-18(2)6-7-20-14)13(19)17-8-10-4-3-5-11(15)12(10)16/h3-5H,6-9H2,1-2H3,(H,17,19)
InChIKeyXODSAVHGGYENDM-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.30
Rot. Bonds3

About N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide

N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide (PubChem CID 127247774) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
PubChem CID127247774
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
SMILESCN1CCOC(C)(C(=O)NCc2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2N2O2/c1-14(9-18(2)6-7-20-14)13(19)17-8-10-4-3-5-11(15)12(10)16/h3-5H,6-9H2,1-2H3,(H,17,19)
InChIKeyXODSAVHGGYENDM-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 110267598
(2R)-N-[(3-chlorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 125000351
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 125024983
(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
2,4-dimethyl-N-(2-pyrazin-2-ylethyl)morpholine-2-carboxamide
CID 110267606
(2R)-N-(4-methoxyphenyl)-2,4-dimethylmorpholine-2-carboxamide
CID 95839227
(3S)-N-[(2,3-difluorophenyl)methyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895254
2-amino-N-[(2,3-difluorophenyl)methyl]acetamide
CID 82670923
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661
[(2S)-2,4-dimethylmorpholin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 95839236

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide (CID 127247774) is N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide is CN1CCOC(C)(C(=O)NCc2cccc(F)c2F)C1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
The InChIKey is XODSAVHGGYENDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-14(9-18(2)6-7-20-14)13(19)17-8-10-4-3-5-11(15)12(10)16/h3-5H,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide?
N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 127247774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).