3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C12H12F4N2O — CID 106208197

IUPAC3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1c(N)cc(C(=O)NC2(C(F)(F)F)CC2)cc1F
InChIInChI=1S/C12H12F4N2O/c1-6-8(13)4-7(5-9(6)17)10(19)18-11(2-3-11)12(14,15)16/h4-5H,2-3,17H2,1H3,(H,18,19)
InChIKeyWKJXYJJVWLRVSW-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.54
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106208197) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106208197
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1c(N)cc(C(=O)NC2(C(F)(F)F)CC2)cc1F
InChIInChI=1S/C12H12F4N2O/c1-6-8(13)4-7(5-9(6)17)10(19)18-11(2-3-11)12(14,15)16/h4-5H,2-3,17H2,1H3,(H,18,19)
InChIKeyWKJXYJJVWLRVSW-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.54
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-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208223
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 83013511

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106208197) is 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is Cc1c(N)cc(C(=O)NC2(C(F)(F)F)CC2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is WKJXYJJVWLRVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c1-6-8(13)4-7(5-9(6)17)10(19)18-11(2-3-11)12(14,15)16/h4-5H,2-3,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 276.23 g/mol, XLogP of 2.54, 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-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).