(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide

C12H16ClFN2O — CID 103831238

IUPAC(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-2-3-4-10(15)12(17)16-11-7-8(14)5-6-9(11)13/h5-7,10H,2-4,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyUROSTIABRBYRRS-JTQLQIEISA-N
MW258.72 g/mol
LogP2.94
Rot. Bonds5

About (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide

(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide (PubChem CID 103831238) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
PubChem CID103831238
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name(2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-2-3-4-10(15)12(17)16-11-7-8(14)5-6-9(11)13/h5-7,10H,2-4,15H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyUROSTIABRBYRRS-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-(trifluoromethyl)phenyl]hexanamide
CID 107143843
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501
2-amino-N-(4-fluoro-2-methylphenyl)hexanamide
CID 54928581
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
(2S)-2-amino-N-(4-chloro-2-fluorophenyl)hexanamide
CID 103830888
2-amino-N-(2-chloro-5-fluorophenyl)butanediamide
CID 113288249
(2S)-2-amino-N-(2,6-dichloro-4-fluorophenyl)hexanamide
CID 107146373
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide (CID 103831238) is (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide?
The InChIKey is UROSTIABRBYRRS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-2-3-4-10(15)12(17)16-11-7-8(14)5-6-9(11)13/h5-7,10H,2-4,15H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-5-fluorophenyl)hexanamide?
(2S)-2-amino-N-(2-chloro-5-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-(2-chloro-5-fluorophenyl)hexanamide is sourced from PubChem (CID 103831238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).