2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide

C14H12F2N2O — CID 61074628

IUPAC2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(F)c2F)c1N
InChIInChI=1S/C14H12F2N2O/c1-8-4-2-5-9(13(8)17)14(19)18-11-7-3-6-10(15)12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVWLFPZQAFWOSDV-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.11
Rot. Bonds2

About 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide

2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide (PubChem CID 61074628) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
PubChem CID61074628
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(F)c2F)c1N
InChIInChI=1S/C14H12F2N2O/c1-8-4-2-5-9(13(8)17)14(19)18-11-7-3-6-10(15)12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVWLFPZQAFWOSDV-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.11
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

2-amino-3-fluoro-N-(2,3,4-trifluorophenyl)benzamide
CID 62649534
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
N-(2,3-difluorophenyl)-2,3-dihydroxybenzamide
CID 114344008
N-(2,3-difluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62509085
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 61111804
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
2-amino-4-chloro-N-(2,3-difluorophenyl)benzamide
CID 61074997
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide (CID 61074628) is 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(F)c2F)c1N.
What is the InChIKey of 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide?
The InChIKey is VWLFPZQAFWOSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-4-2-5-9(13(8)17)14(19)18-11-7-3-6-10(15)12(11)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide?
2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-difluorophenyl)-3-methylbenzamide is sourced from PubChem (CID 61074628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).