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

C14H18F2N2O — CID 79772979

IUPAC3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2c(F)ccc(N)c2F)C1(C)C
InChIInChI=1S/C14H18F2N2O/c1-13(2)12(14(13,3)4)18-11(19)9-7(15)5-6-8(17)10(9)16/h5-6,12H,17H2,1-4H3,(H,18,19)
InChIKeySMXBCZAWSUEFGZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.71
Rot. Bonds2

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

3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 79772979) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID79772979
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2c(F)ccc(N)c2F)C1(C)C
InChIInChI=1S/C14H18F2N2O/c1-13(2)12(14(13,3)4)18-11(19)9-7(15)5-6-8(17)10(9)16/h5-6,12H,17H2,1-4H3,(H,18,19)
InChIKeySMXBCZAWSUEFGZ-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.71
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-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
CID 79773246
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
4-amino-3,5-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356989
3-amino-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 79772868
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
CID 114502840
3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
CID 79773740
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
3-amino-N-(1,1-dioxothian-3-yl)-2,6-difluorobenzamide
CID 79773530

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 79772979) is 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=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)benzamide?
The InChIKey is SMXBCZAWSUEFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-13(2)12(14(13,3)4)18-11(19)9-7(15)5-6-8(17)10(9)16/h5-6,12H,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 268.31 g/mol, XLogP of 2.71, 2 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)benzamide is sourced from PubChem (CID 79772979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).