2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C17H18F2N2O2 — CID 50960277

IUPAC2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNCc1cc(F)ccc1F
InChIInChI=1S/C17H18F2N2O2/c1-23-16-5-3-2-4-12(16)10-21-17(22)11-20-9-13-8-14(18)6-7-15(13)19/h2-8,20H,9-11H2,1H3,(H,21,22)
InChIKeyLUEFWTMRXWFXJU-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.38
Rot. Bonds7

About 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 50960277) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID50960277
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CNCc1cc(F)ccc1F
InChIInChI=1S/C17H18F2N2O2/c1-23-16-5-3-2-4-12(16)10-21-17(22)11-20-9-13-8-14(18)6-7-15(13)19/h2-8,20H,9-11H2,1H3,(H,21,22)
InChIKeyLUEFWTMRXWFXJU-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
CP-100263
CID 9796216
CP-99994
CID 5311057
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-5-methylphenyl)methyl)amino)-6-methyl-
CID 454369
2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454372
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
2(1H)-Pyridinone, 5-ethyl-3-(((4-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454371

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 50960277) is 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CNCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is LUEFWTMRXWFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-23-16-5-3-2-4-12(16)10-21-17(22)11-20-9-13-8-14(18)6-7-15(13)19/h2-8,20H,9-11H2,1H3,(H,21,22).
What are the key properties of 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 320.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 50960277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).