2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C12H15F2NO4 — CID 103602966

IUPAC2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(F)F
InChIInChI=1S/C12H15F2NO4/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-15-12(16)11(13)14/h4-5,11H,6H2,1-3H3,(H,15,16)
InChIKeyTYIRMRMFFMIUJX-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.59
Rot. Bonds6

About 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 103602966) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID103602966
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC Name2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)C(F)F
InChIInChI=1S/C12H15F2NO4/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-15-12(16)11(13)14/h4-5,11H,6H2,1-3H3,(H,15,16)
InChIKeyTYIRMRMFFMIUJX-UHFFFAOYSA-N
XLogP1.59
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656
3-[[(2,2-difluoroacetyl)amino]methyl]-4-methoxybenzenesulfonyl chloride
CID 103513534
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
(2S)-2-pyrazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 35714023
4-(difluoromethylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 8511792
2-(difluoromethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18196193
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18286098

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 103602966) is 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is TYIRMRMFFMIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-17-8-5-10(19-3)9(18-2)4-7(8)6-15-12(16)11(13)14/h4-5,11H,6H2,1-3H3,(H,15,16).
What are the key properties of 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 275.25 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 103602966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).