4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide

C13H16F4N2O2 — CID 120559676

IUPAC4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C13H16F4N2O2/c1-8(18)2-5-12(20)19-10-6-9(14)3-4-11(10)21-7-13(15,16)17/h3-4,6,8H,2,5,7,18H2,1H3,(H,19,20)
InChIKeyKMGYNWBMOMVCMS-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.83
Rot. Bonds6

About 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide

4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide (PubChem CID 120559676) has the molecular formula C13H16F4N2O2 and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
PubChem CID120559676
Molecular FormulaC13H16F4N2O2
Molecular Weight308.28 g/mol
Exact Mass308.11
IUPAC Name4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cc(F)ccc1OCC(F)(F)F
InChIInChI=1S/C13H16F4N2O2/c1-8(18)2-5-12(20)19-10-6-9(14)3-4-11(10)21-7-13(15,16)17/h3-4,6,8H,2,5,7,18H2,1H3,(H,19,20)
InChIKeyKMGYNWBMOMVCMS-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[5-fluoro-2-(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

4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
methyl 4-(4-aminopentanoylamino)-3-(2,2,2-trifluoroethoxy)benzoate;hydrochloride
CID 120562030
3-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-2-methyl-3-phenylpropanamide
CID 119702544
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 24656372
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 135889048

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide (CID 120559676) is 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide is CC(N)CCC(=O)Nc1cc(F)ccc1OCC(F)(F)F.
What is the InChIKey of 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The InChIKey is KMGYNWBMOMVCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2/c1-8(18)2-5-12(20)19-10-6-9(14)3-4-11(10)21-7-13(15,16)17/h3-4,6,8H,2,5,7,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide has a molecular weight of 308.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide is sourced from PubChem (CID 120559676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).