N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide

C16H16F2N2O — CID 43549842

IUPACN-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(N)c(F)cc2F)c(C)c1
InChIInChI=1S/C16H16F2N2O/c1-8-4-9(2)15(10(3)5-8)16(21)20-14-7-13(19)11(17)6-12(14)18/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyAJTNZALZXASLML-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.72
Rot. Bonds2

About N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide

N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide (PubChem CID 43549842) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
PubChem CID43549842
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(N)c(F)cc2F)c(C)c1
InChIInChI=1S/C16H16F2N2O/c1-8-4-9(2)15(10(3)5-8)16(21)20-14-7-13(19)11(17)6-12(14)18/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyAJTNZALZXASLML-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.72
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-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421
N-(4-chloro-2-fluorophenyl)-2,4,6-trimethylbenzamide
CID 6469057
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126880
N-(5-amino-2,4-difluorophenyl)-4-propan-2-ylbenzamide
CID 43549828
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide (CID 43549842) is N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(N)c(F)cc2F)c(C)c1.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide?
The InChIKey is AJTNZALZXASLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-8-4-9(2)15(10(3)5-8)16(21)20-14-7-13(19)11(17)6-12(14)18/h4-7H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide?
N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-difluorophenyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 43549842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).