N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide

C15H14F2N2O — CID 103144635

IUPACN-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)c(C)cc1N
InChIInChI=1S/C15H14F2N2O/c1-8-7-13(9(2)6-12(8)18)19-15(20)14-10(16)4-3-5-11(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKUNMKFYJHBPLRV-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide

N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide (PubChem CID 103144635) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
PubChem CID103144635
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2F)c(C)cc1N
InChIInChI=1S/C15H14F2N2O/c1-8-7-13(9(2)6-12(8)18)19-15(20)14-10(16)4-3-5-11(14)17/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKUNMKFYJHBPLRV-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

N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloro-6-fluorobenzamide
CID 103274912
N-(4-amino-2,5-dimethylphenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 103144428
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648
N-(4-amino-2,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 103144443

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide (CID 103144635) is N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide is Cc1cc(NC(=O)c2c(F)cccc2F)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide?
The InChIKey is KUNMKFYJHBPLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-7-13(9(2)6-12(8)18)19-15(20)14-10(16)4-3-5-11(14)17/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide?
N-(4-amino-2,5-dimethylphenyl)-2,6-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 N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 103144635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).