3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide

C16H16F2N2O — CID 107120653

IUPAC3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C16H16F2N2O/c1-9-5-3-4-6-12(9)10(2)20-16(21)13-7-11(17)8-14(19)15(13)18/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyDJGQHAPBFAJBQX-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide

3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 107120653) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID107120653
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C16H16F2N2O/c1-9-5-3-4-6-12(9)10(2)20-16(21)13-7-11(17)8-14(19)15(13)18/h3-8,10H,19H2,1-2H3,(H,20,21)
InChIKeyDJGQHAPBFAJBQX-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

4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
2-amino-6-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 61118569
methyl 2-[(3-amino-2,5-difluorobenzoyl)amino]propanoate
CID 107120864
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
5-amino-2-methyl-N-[1-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 61118673
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide (CID 107120653) is 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1C(C)NC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is DJGQHAPBFAJBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-5-3-4-6-12(9)10(2)20-16(21)13-7-11(17)8-14(19)15(13)18/h3-8,10H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide?
3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide 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-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 107120653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).