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

C11H14F2N2O — CID 115151954

IUPACN-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O/c1-14-6-11(16)15(2)7-8-5-9(12)3-4-10(8)13/h3-5,14H,6-7H2,1-2H3
InChIKeyJDTYCUTWJZUVNJ-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.14
Rot. Bonds4

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

N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 115151954) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
PubChem CID115151954
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)Cc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O/c1-14-6-11(16)15(2)7-8-5-9(12)3-4-10(8)13/h3-5,14H,6-7H2,1-2H3
InChIKeyJDTYCUTWJZUVNJ-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-oxobutanamide
CID 115176479
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119682810
2-ethyl-1,4-difluorobenzene
CID 23202513
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide (CID 115151954) is N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)Cc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is JDTYCUTWJZUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-14-6-11(16)15(2)7-8-5-9(12)3-4-10(8)13/h3-5,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide?
N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 228.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 115151954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).