3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide

C16H16F2N2O — CID 107121143

IUPAC3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
SMILESCCc1ccccc1CNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C16H16F2N2O/c1-2-10-5-3-4-6-11(10)9-20-16(21)13-7-12(17)8-14(19)15(13)18/h3-8H,2,9,19H2,1H3,(H,20,21)
InChIKeyXIKFAAUUEHGETI-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.04
Rot. Bonds4

About 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide

3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide (PubChem CID 107121143) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
PubChem CID107121143
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
SMILESCCc1ccccc1CNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C16H16F2N2O/c1-2-10-5-3-4-6-11(10)9-20-16(21)13-7-12(17)8-14(19)15(13)18/h3-8H,2,9,19H2,1H3,(H,20,21)
InChIKeyXIKFAAUUEHGETI-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 107120776
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
3-amino-N-[(3-cyanophenyl)methyl]-2,5-difluorobenzamide
CID 107120616
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide (CID 107121143) is 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide is CCc1ccccc1CNC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide?
The InChIKey is XIKFAAUUEHGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-10-5-3-4-6-11(10)9-20-16(21)13-7-12(17)8-14(19)15(13)18/h3-8H,2,9,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide?
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 107121143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).