N-(4-amino-2-fluorophenyl)heptanamide

C13H19FN2O — CID 28691330

IUPACN-(4-amino-2-fluorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-2-3-4-5-6-13(17)16-12-8-7-10(15)9-11(12)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyZYSCVHNNEMISAQ-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.32
Rot. Bonds6

About N-(4-amino-2-fluorophenyl)heptanamide

N-(4-amino-2-fluorophenyl)heptanamide (PubChem CID 28691330) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)heptanamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)heptanamide
PubChem CID28691330
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(4-amino-2-fluorophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1ccc(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-2-3-4-5-6-13(17)16-12-8-7-10(15)9-11(12)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyZYSCVHNNEMISAQ-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-fluorophenyl)dodecanamide
CID 4598315
N-(4-chloro-2-fluorophenyl)heptanamide
CID 4055752
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]octanamide
CID 60802780
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)heptanamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)heptanamide (CID 28691330) is N-(4-amino-2-fluorophenyl)heptanamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)heptanamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)heptanamide is CCCCCCC(=O)Nc1ccc(N)cc1F.
What is the InChIKey of N-(4-amino-2-fluorophenyl)heptanamide?
The InChIKey is ZYSCVHNNEMISAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-3-4-5-6-13(17)16-12-8-7-10(15)9-11(12)14/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-fluorophenyl)heptanamide?
N-(4-amino-2-fluorophenyl)heptanamide has a molecular weight of 238.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-fluorophenyl)heptanamide is sourced from PubChem (CID 28691330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).