2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide

C16H16F2N2O — CID 108997018

IUPAC2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-11-3-2-4-12(7-11)9-20-16(21)10-19-13-5-6-14(17)15(18)8-13/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyUNRRUZMEHKCDMP-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.00
Rot. Bonds5

About 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 108997018) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID108997018
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-11-3-2-4-12(7-11)9-20-16(21)10-19-13-5-6-14(17)15(18)8-13/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyUNRRUZMEHKCDMP-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
1-(3,4-difluorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47194938
N-[(3-methylphenyl)methyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 108996969
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
3-(3-chloro-4-fluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019503
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-(3-fluoroanilino)-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 29450858
N-[(3-methylphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108996939
2-(3,4-difluoroanilino)-N-(3-ethylphenyl)acetamide
CID 112799800

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 108997018) is 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CNc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is UNRRUZMEHKCDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11-3-2-4-12(7-11)9-20-16(21)10-19-13-5-6-14(17)15(18)8-13/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 290.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108997018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).