2-amino-3-fluoro-N-octan-4-ylbenzamide

C15H23FN2O — CID 106025768

IUPAC2-amino-3-fluoro-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C15H23FN2O/c1-3-5-8-11(7-4-2)18-15(19)12-9-6-10-13(16)14(12)17/h6,9-11H,3-5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyVPQCDEMFCZPFPC-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.50
Rot. Bonds7

About 2-amino-3-fluoro-N-octan-4-ylbenzamide

2-amino-3-fluoro-N-octan-4-ylbenzamide (PubChem CID 106025768) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-octan-4-ylbenzamide
PubChem CID106025768
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-amino-3-fluoro-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cccc(F)c1N
InChIInChI=1S/C15H23FN2O/c1-3-5-8-11(7-4-2)18-15(19)12-9-6-10-13(16)14(12)17/h6,9-11H,3-5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyVPQCDEMFCZPFPC-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
1-(2-amino-3-fluorophenyl)hexan-1-one
CID 116597714
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
N-octan-4-yl-2-(propan-2-ylamino)benzamide
CID 106027367
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
butyl 2-amino-3-fluorobenzoate
CID 80502132
2-amino-N-(1-amino-1-oxopropan-2-yl)-3-fluorobenzamide
CID 62661518

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-octan-4-ylbenzamide?
The IUPAC name of 2-amino-3-fluoro-N-octan-4-ylbenzamide (CID 106025768) is 2-amino-3-fluoro-N-octan-4-ylbenzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-octan-4-ylbenzamide?
The canonical SMILES for 2-amino-3-fluoro-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-octan-4-ylbenzamide?
The InChIKey is VPQCDEMFCZPFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-5-8-11(7-4-2)18-15(19)12-9-6-10-13(16)14(12)17/h6,9-11H,3-5,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-fluoro-N-octan-4-ylbenzamide?
2-amino-3-fluoro-N-octan-4-ylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-octan-4-ylbenzamide is sourced from PubChem (CID 106025768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).