N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

C13H15F3N2O — CID 107000194

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H15F3N2O/c1-12(2)6-8(12)11(19)18-10-4-3-7(5-9(10)17)13(14,15)16/h3-5,8H,6,17H2,1-2H3,(H,18,19)
InChIKeyHVIFPKNEBZIJGM-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.27
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107000194) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107000194
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H15F3N2O/c1-12(2)6-8(12)11(19)18-10-4-3-7(5-9(10)17)13(14,15)16/h3-5,8H,6,17H2,1-2H3,(H,18,19)
InChIKeyHVIFPKNEBZIJGM-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.27
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

N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000303
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
CID 16785588
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 144562744
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methylsulfinylpropanamide
CID 61288881
N-[2-amino-4-(trifluoromethyl)phenyl]-3-cyclobutyloxypropanamide
CID 62116305
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107000194) is N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is HVIFPKNEBZIJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-12(2)6-8(12)11(19)18-10-4-3-7(5-9(10)17)13(14,15)16/h3-5,8H,6,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 272.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).