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

C15H21F3N2O — CID 43548371

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-3-5-6-10(4-2)14(21)20-13-8-7-11(19)9-12(13)15(16,17)18/h7-10H,3-6,19H2,1-2H3,(H,20,21)
InChIKeyYLNKSCOUHZGKLB-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.44
Rot. Bonds6

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

N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide (PubChem CID 43548371) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
PubChem CID43548371
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-3-5-6-10(4-2)14(21)20-13-8-7-11(19)9-12(13)15(16,17)18/h7-10H,3-6,19H2,1-2H3,(H,20,21)
InChIKeyYLNKSCOUHZGKLB-UHFFFAOYSA-N
XLogP4.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.44
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

(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
N-(2-amino-4-bromophenyl)-2-ethylhexanamide
CID 43130493
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
N-[4-amino-2-(trifluoromethyl)phenyl]-2-cyclopropylpropanamide
CID 83146901
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
N-(2-chloro-4-sulfamoylphenyl)-2-ethylhexanamide
CID 43246745
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
1-[4-amino-2-(trifluoromethyl)anilino]-3-ethylpentan-2-ol
CID 106284327
N-(2-amino-5-methoxyphenyl)-2-ethylhexanamide;hydrochloride
CID 120607557

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide (CID 43548371) is N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide?
The InChIKey is YLNKSCOUHZGKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-5-6-10(4-2)14(21)20-13-8-7-11(19)9-12(13)15(16,17)18/h7-10H,3-6,19H2,1-2H3,(H,20,21).
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-2-ethylhexanamide has a molecular weight of 302.34 g/mol, XLogP of 4.44, 6 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-ethylhexanamide is sourced from PubChem (CID 43548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).