N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide

C13H15F3N2O — CID 83146901

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1ccc(N)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C13H15F3N2O/c1-7(8-2-3-8)12(19)18-11-5-4-9(17)6-10(11)13(14,15)16/h4-8H,2-3,17H2,1H3,(H,18,19)
InChIKeyKDHALXVCOSNWPF-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.27
Rot. Bonds3

About N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide

N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide (PubChem CID 83146901) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide
PubChem CID83146901
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1ccc(N)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C13H15F3N2O/c1-7(8-2-3-8)12(19)18-11-5-4-9(17)6-10(11)13(14,15)16/h4-8H,2-3,17H2,1H3,(H,18,19)
InChIKeyKDHALXVCOSNWPF-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 62905996
N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
CID 43548371
4-amino-N-[4-[[4-amino-2-(trifluoromethyl)benzoyl]amino]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzamide
CID 135301185
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
2-cyclopropyl-N-(2-fluoro-4-hydroxyphenyl)propanamide
CID 83154239
N-(5-amino-2,4-difluorophenyl)-2-cyclopropylpropanamide
CID 83147686
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 54995593
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
4-N-[4-amino-2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 150605694
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide (CID 83146901) is N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide is CC(C(=O)Nc1ccc(N)cc1C(F)(F)F)C1CC1.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide?
The InChIKey is KDHALXVCOSNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-7(8-2-3-8)12(19)18-11-5-4-9(17)6-10(11)13(14,15)16/h4-8H,2-3,17H2,1H3,(H,18,19).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide has a molecular weight of 272.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 83146901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).