(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide

C16H14Cl3NO — CID 798501

IUPAC(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
SMILESC[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl3NO/c1-10(11-5-3-2-4-6-11)7-16(21)20-15-9-13(18)12(17)8-14(15)19/h2-6,8-10H,7H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyHXRJFKWLCYGDFF-SNVBAGLBSA-N
MW342.65 g/mol
LogP5.78
Rot. Bonds4

About (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide

(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 798501) has the molecular formula C16H14Cl3NO and a molecular weight of 342.65 g/mol. Its IUPAC name is (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID798501
Molecular FormulaC16H14Cl3NO
Molecular Weight342.65 g/mol
Exact Mass341.01
IUPAC Name(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide
SMILESC[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl3NO/c1-10(11-5-3-2-4-6-11)7-16(21)20-15-9-13(18)12(17)8-14(15)19/h2-6,8-10H,7H2,1H3,(H,20,21)/t10-/m1/s1
InChIKeyHXRJFKWLCYGDFF-SNVBAGLBSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.65
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)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

(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
[(2S)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 2576614
4-methyl-3-oxo-N-(2,4,5-trichlorophenyl)pentanamide
CID 121015861

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide (CID 798501) is (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide is C[C@H](CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is HXRJFKWLCYGDFF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14Cl3NO/c1-10(11-5-3-2-4-6-11)7-16(21)20-15-9-13(18)12(17)8-14(15)19/h2-6,8-10H,7H2,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide?
(3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 342.65 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-N-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 798501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).