5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide

C16H16F2N2O — CID 61092146

IUPAC5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-9(2)10-5-3-4-6-15(10)20-16(21)11-7-14(19)13(18)8-12(11)17/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyQUKAAAPSVAHYPI-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.92
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide

5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 61092146) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
PubChem CID61092146
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C16H16F2N2O/c1-9(2)10-5-3-4-6-15(10)20-16(21)11-7-14(19)13(18)8-12(11)17/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyQUKAAAPSVAHYPI-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
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

5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
2-fluoro-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 103602982
2-amino-4-bromo-N-(2-propan-2-ylphenyl)benzamide
CID 79714001
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
N-[2-(1-aminoethyl)phenyl]-2,4-difluorobenzamide
CID 16785051
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
2-hydrazinyl-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 62510956
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide (CID 61092146) is 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide is CC(C)c1ccccc1NC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is QUKAAAPSVAHYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9(2)10-5-3-4-6-15(10)20-16(21)11-7-14(19)13(18)8-12(11)17/h3-9H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide?
5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 290.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 61092146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).