6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide

C13H18ClFN2O — CID 112734750

IUPAC6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
SMILESCc1cc(NC(=O)CCCCCN)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O/c1-9-7-12(10(14)8-11(9)15)17-13(18)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyLGKHFRHLYAIASY-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.25
Rot. Bonds6

About 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide

6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide (PubChem CID 112734750) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
PubChem CID112734750
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
SMILESCc1cc(NC(=O)CCCCCN)c(Cl)cc1F
InChIInChI=1S/C13H18ClFN2O/c1-9-7-12(10(14)8-11(9)15)17-13(18)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyLGKHFRHLYAIASY-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
CID 130520854
6-amino-N-(2,5-dichlorophenyl)hexanamide
CID 24694210
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 112734747
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605
7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
CID 104668158

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide (CID 112734750) is 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide is Cc1cc(NC(=O)CCCCCN)c(Cl)cc1F.
What is the InChIKey of 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide?
The InChIKey is LGKHFRHLYAIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-9-7-12(10(14)8-11(9)15)17-13(18)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide?
6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide has a molecular weight of 272.75 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide is sourced from PubChem (CID 112734750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).