2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide

C12H16F2N2O — CID 54891273

IUPAC2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-7(2)6-16-11(12(15)17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17)
InChIKeyIDGVBCAHTHRRBU-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.74
Rot. Bonds5

About 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide

2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide (PubChem CID 54891273) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
PubChem CID54891273
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O/c1-7(2)6-16-11(12(15)17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17)
InChIKeyIDGVBCAHTHRRBU-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenyl)-2-(2-methylpropylamino)acetamide
CID 114075629
2-(2,5-difluorophenyl)propanamide
CID 141213802
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
2-(cyclopropylamino)-2-(2,5-difluorophenyl)acetamide
CID 60796305
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
2-(2,5-difluorophenyl)-2-(3-methylanilino)acetamide
CID 61005085
2-(5-chloro-2-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 114843526
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
methyl 2-(2,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892899
methyl 2-(2,5-difluorophenyl)-2-(prop-2-ynylamino)acetate
CID 55063341

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide (CID 54891273) is 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide is CC(C)CNC(C(N)=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide?
The InChIKey is IDGVBCAHTHRRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-7(2)6-16-11(12(15)17)9-5-8(13)3-4-10(9)14/h3-5,7,11,16H,6H2,1-2H3,(H2,15,17).
What are the key properties of 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide?
2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide has a molecular weight of 242.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 54891273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).