(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide

C12H15Cl2FN2O — CID 107146373

IUPAC(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H15Cl2FN2O/c1-2-3-4-10(16)12(18)17-11-8(13)5-7(15)6-9(11)14/h5-6,10H,2-4,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyUBOFTSDDLXPKKX-JTQLQIEISA-N
MW293.17 g/mol
LogP3.59
Rot. Bonds5

About (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide

(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide (PubChem CID 107146373) has the molecular formula C12H15Cl2FN2O and a molecular weight of 293.17 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
PubChem CID107146373
Molecular FormulaC12H15Cl2FN2O
Molecular Weight293.17 g/mol
Exact Mass292.05
IUPAC Name(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H15Cl2FN2O/c1-2-3-4-10(16)12(18)17-11-8(13)5-7(15)6-9(11)14/h5-6,10H,2-4,16H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyUBOFTSDDLXPKKX-JTQLQIEISA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide 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-(2,4,6-trifluorophenyl)hexanamide
CID 107145817
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methoxybutanamide
CID 83079089
(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
(2S)-2-amino-N-(3-fluoro-5-methylphenyl)hexanamide
CID 103950769
2-amino-N-(2,6-difluorophenyl)hexanamide
CID 54928730
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide (CID 107146373) is (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide?
The InChIKey is UBOFTSDDLXPKKX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15Cl2FN2O/c1-2-3-4-10(16)12(18)17-11-8(13)5-7(15)6-9(11)14/h5-6,10H,2-4,16H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide?
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide has a molecular weight of 293.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide is sourced from PubChem (CID 107146373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).