6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide

C14H18FN3O — CID 43712227

IUPAC6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCCCCN
InChIInChI=1S/C14H18FN3O/c1-10-12(15)7-11(9-17)8-13(10)18-14(19)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,18,19)
InChIKeyJGFIGSCGDBNWCX-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.46
Rot. Bonds6

About 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide

6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide (PubChem CID 43712227) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
PubChem CID43712227
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCCCCN
InChIInChI=1S/C14H18FN3O/c1-10-12(15)7-11(9-17)8-13(10)18-14(19)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,18,19)
InChIKeyJGFIGSCGDBNWCX-UHFFFAOYSA-N
XLogP2.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pentanamide
CID 114014772
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79200626
3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943
3-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
CID 54925369
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
2-[2-(5-cyano-3-fluoro-2-methylanilino)-2-oxoethoxy]acetic acid
CID 61327661
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62838481
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
7-amino-N-(5-bromo-4-fluoro-2-methylphenyl)heptanamide
CID 107592189
6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 112734750
6-amino-N-(4-cyano-2-nitrophenyl)hexanamide
CID 78965691

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide?
The IUPAC name of 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide (CID 43712227) is 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide.
What is the SMILES notation for 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide?
The canonical SMILES for 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide is Cc1c(F)cc(C#N)cc1NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide?
The InChIKey is JGFIGSCGDBNWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10-12(15)7-11(9-17)8-13(10)18-14(19)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,18,19).
What are the key properties of 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide?
6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide has a molecular weight of 263.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide is sourced from PubChem (CID 43712227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).