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

C15H18F2N2O2 — CID 155981047

IUPACN-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(Cc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C15H18F2N2O2/c16-12-4-1-10(7-13(12)17)8-19-5-6-21-14(9-19)15(20)18-11-2-3-11/h1,4,7,11,14H,2-3,5-6,8-9H2,(H,18,20)
InChIKeyVNLOMAUFTUHYFH-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.44
Rot. Bonds4

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

N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide (PubChem CID 155981047) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
PubChem CID155981047
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC NameN-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
SMILESO=C(NC1CC1)C1CN(Cc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C15H18F2N2O2/c16-12-4-1-10(7-13(12)17)8-19-5-6-21-14(9-19)15(20)18-11-2-3-11/h1,4,7,11,14H,2-3,5-6,8-9H2,(H,18,20)
InChIKeyVNLOMAUFTUHYFH-UHFFFAOYSA-N
XLogP1.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide
CID 95851830
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 155981100
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
(3aR,5S,7aR)-N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461442
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425
N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
CID 163352376
(1S,2R,3S,4R)-3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 118784005
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide (CID 155981047) is N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide is O=C(NC1CC1)C1CN(Cc2ccc(F)c(F)c2)CCO1.
What is the InChIKey of N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide?
The InChIKey is VNLOMAUFTUHYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-12-4-1-10(7-13(12)17)8-19-5-6-21-14(9-19)15(20)18-11-2-3-11/h1,4,7,11,14H,2-3,5-6,8-9H2,(H,18,20).
What are the key properties of N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide?
N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 155981047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).