(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide

C12H16ClFN2O — CID 103830888

IUPAC(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O/c1-2-3-4-10(15)12(17)16-11-6-5-8(13)7-9(11)14/h5-7,10H,2-4,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyQEURLGHHPMLEIP-JTQLQIEISA-N
MW258.72 g/mol
LogP2.94
Rot. Bonds5

About (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide

(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide (PubChem CID 103830888) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
PubChem CID103830888
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O/c1-2-3-4-10(15)12(17)16-11-6-5-8(13)7-9(11)14/h5-7,10H,2-4,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyQEURLGHHPMLEIP-JTQLQIEISA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
CID 103831238
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2S)-2-amino-N-(2-fluoro-5-methylsulfonylphenyl)hexanamide
CID 107144106
(2S,3S)-2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide
CID 61180794
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)hexanamide
CID 60927429
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]pentanamide
CID 43650065
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
methyl 2-(4-chloro-2-fluoroanilino)hexanoate
CID 103247397
2-amino-N-(4-chloro-2-fluorophenyl)-3-methylpentanamide;hydrochloride
CID 119673993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide (CID 103830888) is (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide?
The InChIKey is QEURLGHHPMLEIP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-2-3-4-10(15)12(17)16-11-6-5-8(13)7-9(11)14/h5-7,10H,2-4,15H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide?
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide has a molecular weight of 258.72 g/mol, XLogP of 2.94, 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-(4-chloro-2-fluorophenyl)hexanamide is sourced from PubChem (CID 103830888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).