N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide

C12H15F3N2O2 — CID 82954605

IUPACN-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
SMILESCC(OCCC(F)(F)F)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H15F3N2O2/c1-8(19-6-5-12(13,14)15)11(18)17-10-4-2-3-9(16)7-10/h2-4,7-8H,5-6,16H2,1H3,(H,17,18)
InChIKeyCKHLQGNMUNQKON-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.56
Rot. Bonds5

About N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide

N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide (PubChem CID 82954605) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
PubChem CID82954605
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
SMILESCC(OCCC(F)(F)F)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C12H15F3N2O2/c1-8(19-6-5-12(13,14)15)11(18)17-10-4-2-3-9(16)7-10/h2-4,7-8H,5-6,16H2,1H3,(H,17,18)
InChIKeyCKHLQGNMUNQKON-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-(5-amino-2-fluorophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954224
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
3-amino-2-methyl-N-[3-(2,2,2-trifluoroethyl)phenyl]butanamide
CID 120501532
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
N-(3-aminophenyl)-2-[2-methoxyethyl(methyl)amino]propanamide
CID 61429180
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
2-[2-(2-aminophenyl)ethoxy]-N-phenylpropanamide
CID 102902653

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide (CID 82954605) is N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide is CC(OCCC(F)(F)F)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide?
The InChIKey is CKHLQGNMUNQKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(19-6-5-12(13,14)15)11(18)17-10-4-2-3-9(16)7-10/h2-4,7-8H,5-6,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide?
N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide is sourced from PubChem (CID 82954605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).