5-amino-2,4-difluoro-N-hexan-3-ylbenzamide

C13H18F2N2O — CID 62092925

IUPAC5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-5-8(4-2)17-13(18)9-6-12(16)11(15)7-10(9)14/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyYWFYAULFJAIKIN-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.86
Rot. Bonds5

About 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide

5-amino-2,4-difluoro-N-hexan-3-ylbenzamide (PubChem CID 62092925) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
PubChem CID62092925
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-5-8(4-2)17-13(18)9-6-12(16)11(15)7-10(9)14/h6-8H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyYWFYAULFJAIKIN-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.86
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

5-amino-4-fluoro-N-hexan-3-yl-2-nitrobenzamide
CID 62161318
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
CID 176704795
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
2,4-difluoro-N-(1-hydroxypentan-3-yl)-5-methylbenzamide
CID 109478990
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
3-[3-fluoro-4-(hexan-3-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 76934580

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide (CID 62092925) is 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide?
The InChIKey is YWFYAULFJAIKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-5-8(4-2)17-13(18)9-6-12(16)11(15)7-10(9)14/h6-8H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide?
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-hexan-3-ylbenzamide is sourced from PubChem (CID 62092925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).