4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide

C15H14F2N2O — CID 63187147

IUPAC4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(F)c(N)c(F)c2)c1C
InChIInChI=1S/C15H14F2N2O/c1-8-4-3-5-13(9(8)2)19-15(20)10-6-11(16)14(18)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyMKTMULCIOZVAGU-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

About 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide

4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide (PubChem CID 63187147) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
PubChem CID63187147
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
SMILESCc1cccc(NC(=O)c2cc(F)c(N)c(F)c2)c1C
InChIInChI=1S/C15H14F2N2O/c1-8-4-3-5-13(9(8)2)19-15(20)10-6-11(16)14(18)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyMKTMULCIOZVAGU-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.42
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-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3-bromo-N-(2,3-dimethylphenyl)-5-methylbenzamide
CID 104851827
3,5-difluoro-4-hydrazinyl-N-(2-methylphenyl)benzamide
CID 63186781
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide (CID 63187147) is 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide is Cc1cccc(NC(=O)c2cc(F)c(N)c(F)c2)c1C.
What is the InChIKey of 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide?
The InChIKey is MKTMULCIOZVAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-4-3-5-13(9(8)2)19-15(20)10-6-11(16)14(18)12(17)7-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide?
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 63187147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).