3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide

C12H15FN2O — CID 62396682

IUPAC3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
SMILESCc1c(N)cc(C(=O)NC2CC2C)cc1F
InChIInChI=1S/C12H15FN2O/c1-6-3-11(6)15-12(16)8-4-9(13)7(2)10(14)5-8/h4-6,11H,3,14H2,1-2H3,(H,15,16)
InChIKeyCTFQIFVYQFOUIK-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide

3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide (PubChem CID 62396682) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
PubChem CID62396682
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
SMILESCc1c(N)cc(C(=O)NC2CC2C)cc1F
InChIInChI=1S/C12H15FN2O/c1-6-3-11(6)15-12(16)8-4-9(13)7(2)10(14)5-8/h4-6,11H,3,14H2,1-2H3,(H,15,16)
InChIKeyCTFQIFVYQFOUIK-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.85
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-(2,4-dimethylcyclohexyl)-5-fluoro-4-methylbenzamide
CID 63994254
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
CID 62814400
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide (CID 62396682) is 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide is Cc1c(N)cc(C(=O)NC2CC2C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide?
The InChIKey is CTFQIFVYQFOUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-6-3-11(6)15-12(16)8-4-9(13)7(2)10(14)5-8/h4-6,11H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide has a molecular weight of 222.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 62396682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).