3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide

C16H15F3N2O — CID 169187552

IUPAC3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide
SMILESNC(CC(=O)Nc1ccccc1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C16H15F3N2O/c17-13-9-15(19)14(18)7-10(13)6-11(20)8-16(22)21-12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,20H2,(H,21,22)
InChIKeyPASIKRDJGXVDKT-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.00
Rot. Bonds5

About 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide

3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide (PubChem CID 169187552) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide
PubChem CID169187552
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide
SMILESNC(CC(=O)Nc1ccccc1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C16H15F3N2O/c17-13-9-15(19)14(18)7-10(13)6-11(20)8-16(22)21-12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,20H2,(H,21,22)
InChIKeyPASIKRDJGXVDKT-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide 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

(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CID 7146283
3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CID 174927990
3-amino-N-phenylpentanamide
CID 79006475
4-amino-5-(2,4,5-trifluorophenyl)pentan-2-one
CID 76606923
1-[2-amino-3-(2,4,5-trifluorophenyl)propyl]-3-(4-fluorophenyl)urea
CID 142400489
(3R)-3-amino-N-[1,1-dioxo-4-(5-phenyl-1,3,4-oxadiazol-2-yl)thian-4-yl]-4-(2,4,5-trifluorophenyl)butanamide
CID 71450605
(3R)-3-amino-1-(4-benzylpiperazin-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
CID 25154806
(3R)-3-amino-4-(2-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11233630
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-oxo-1H-quinolin-3-yl)butanamide chloride
CID 11566979
2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
CID 130874631
3-amino-N-(4-anilinophenyl)-3-phenylpropanamide
CID 57278352
1-[(3aS,6aS)-5-(benzenesulfonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one
CID 89482670

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide?
The IUPAC name of 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide (CID 169187552) is 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide.
What is the SMILES notation for 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide?
The canonical SMILES for 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide is NC(CC(=O)Nc1ccccc1)Cc1cc(F)c(F)cc1F.
What is the InChIKey of 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide?
The InChIKey is PASIKRDJGXVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c17-13-9-15(19)14(18)7-10(13)6-11(20)8-16(22)21-12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,20H2,(H,21,22).
What are the key properties of 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide?
3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide has a molecular weight of 308.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)butanamide is sourced from PubChem (CID 169187552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).