N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide

C12H15F2NO2 — CID 112686762

IUPACN-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(2)17-7-12(16)15-6-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyKIQYRVZNMMGDJD-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.01
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide

N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 112686762) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
PubChem CID112686762
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO2/c1-8(2)17-7-12(16)15-6-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyKIQYRVZNMMGDJD-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014
N-[[4-(bromomethyl)phenyl]methyl]-2-propan-2-yloxyacetamide
CID 107233774
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
N-[(4-acetamidophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47412659
ethyl 3-[(3,4-difluorophenyl)methylamino]-3-oxopropanoate
CID 110474199
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
N-[(3,4-difluorophenyl)methyl]-2-isocyanoacetamide
CID 59099086
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)butanamide
CID 54966098

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide (CID 112686762) is N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is KIQYRVZNMMGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-8(2)17-7-12(16)15-6-9-3-4-10(13)11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide?
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 243.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112686762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).