3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide

C13H18ClFN2O — CID 145398253

IUPAC3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide
SMILESCc1cc(CCCC(N)CC(N)=O)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O/c1-8-5-9(6-11(14)13(8)15)3-2-4-10(16)7-12(17)18/h5-6,10H,2-4,7,16H2,1H3,(H2,17,18)
InChIKeyUCRPTDYSPMSNJL-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.31
Rot. Bonds6

About 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide

3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide (PubChem CID 145398253) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide.

Molecular Properties

Compound Name3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide
PubChem CID145398253
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide
SMILESCc1cc(CCCC(N)CC(N)=O)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O/c1-8-5-9(6-11(14)13(8)15)3-2-4-10(16)7-12(17)18/h5-6,10H,2-4,7,16H2,1H3,(H2,17,18)
InChIKeyUCRPTDYSPMSNJL-UHFFFAOYSA-N
XLogP2.31
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide?
The IUPAC name of 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide (CID 145398253) is 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide.
What is the SMILES notation for 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide?
The canonical SMILES for 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide is Cc1cc(CCCC(N)CC(N)=O)cc(Cl)c1F.
What is the InChIKey of 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide?
The InChIKey is UCRPTDYSPMSNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-8-5-9(6-11(14)13(8)15)3-2-4-10(16)7-12(17)18/h5-6,10H,2-4,7,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide?
3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide has a molecular weight of 272.75 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-chloro-4-fluoro-5-methylphenyl)hexanamide is sourced from PubChem (CID 145398253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).