4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide

C13H17F3N2O2 — CID 120560452

IUPAC4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(17)5-6-12(19)18-10-3-2-4-11(7-10)20-8-13(14,15)16/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,19)
InChIKeyPBECGGYRYJJUIP-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.69
Rot. Bonds6

About 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide

4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide (PubChem CID 120560452) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
PubChem CID120560452
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9(17)5-6-12(19)18-10-3-2-4-11(7-10)20-8-13(14,15)16/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,19)
InChIKeyPBECGGYRYJJUIP-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
CID 120561225
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 55654482
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 52583631
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112822716

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide (CID 120560452) is 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide is CC(N)CCC(=O)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The InChIKey is PBECGGYRYJJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(17)5-6-12(19)18-10-3-2-4-11(7-10)20-8-13(14,15)16/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide has a molecular weight of 290.29 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide is sourced from PubChem (CID 120560452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).