N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide

C12H15F3N2O — CID 63234191

IUPACN-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
SMILESCCCN(C(=O)CC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C12H15F3N2O/c1-2-7-17(11(18)8-12(13,14)15)10-5-3-9(16)4-6-10/h3-6H,2,7-8,16H2,1H3
InChIKeyNJXPQSQRQPGVFV-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.96
Rot. Bonds4

About N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide

N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide (PubChem CID 63234191) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
PubChem CID63234191
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
SMILESCCCN(C(=O)CC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C12H15F3N2O/c1-2-7-17(11(18)8-12(13,14)15)10-5-3-9(16)4-6-10/h3-6H,2,7-8,16H2,1H3
InChIKeyNJXPQSQRQPGVFV-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
N-(4-aminophenyl)-3,4,4-trimethyl-N-propylpentanamide
CID 63832151
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(4-aminophenyl)-N,2-dipropylpentanamide
CID 82983981
N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide
CID 103161636
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
CID 65206351

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide?
The IUPAC name of N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide (CID 63234191) is N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide is CCCN(C(=O)CC(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide?
The InChIKey is NJXPQSQRQPGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-7-17(11(18)8-12(13,14)15)10-5-3-9(16)4-6-10/h3-6H,2,7-8,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide?
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide has a molecular weight of 260.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide is sourced from PubChem (CID 63234191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).