3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C15H20F2N2O — CID 79772907

IUPAC3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2c(F)ccc(N)c2F)C1(C)C
InChIInChI=1S/C15H20F2N2O/c1-14(2)10(15(14,3)4)7-19-13(20)11-8(16)5-6-9(18)12(11)17/h5-6,10H,7,18H2,1-4H3,(H,19,20)
InChIKeyVMDVVPZAJNLRLB-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.96
Rot. Bonds3

About 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 79772907) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID79772907
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCC1(C)C(CNC(=O)c2c(F)ccc(N)c2F)C1(C)C
InChIInChI=1S/C15H20F2N2O/c1-14(2)10(15(14,3)4)7-19-13(20)11-8(16)5-6-9(18)12(11)17/h5-6,10H,7,18H2,1-4H3,(H,19,20)
InChIKeyVMDVVPZAJNLRLB-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.96
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

3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79772979
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359338
3-amino-2,6-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 79772902
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-2,6-difluorobenzamide
CID 81041559
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 79772907) is 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CC1(C)C(CNC(=O)c2c(F)ccc(N)c2F)C1(C)C.
What is the InChIKey of 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is VMDVVPZAJNLRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-14(2)10(15(14,3)4)7-19-13(20)11-8(16)5-6-9(18)12(11)17/h5-6,10H,7,18H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 282.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 79772907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).