3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide

C16H16F2N2O — CID 78984250

IUPAC3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-9-12(4-3-5-15(9)19)16(21)20-10(2)13-8-11(17)6-7-14(13)18/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyCDOQWURECOARGH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide

3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide (PubChem CID 78984250) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
PubChem CID78984250
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-9-12(4-3-5-15(9)19)16(21)20-10(2)13-8-11(17)6-7-14(13)18/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyCDOQWURECOARGH-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.35
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

3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
2-(difluoromethoxy)-N-[1-(2,5-difluorophenyl)ethyl]benzamide
CID 46587974
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 43297866
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
(2S)-2-amino-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 79025345
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide (CID 78984250) is 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC(C)c1cc(F)ccc1F.
What is the InChIKey of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide?
The InChIKey is CDOQWURECOARGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-12(4-3-5-15(9)19)16(21)20-10(2)13-8-11(17)6-7-14(13)18/h3-8,10H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide?
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 78984250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).