5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide

C13H18F2N2O2 — CID 107197364

IUPAC5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-17(5-3-2-4-6-18)13(19)9-7-12(16)11(15)8-10(9)14/h7-8,18H,2-6,16H2,1H3
InChIKeyAFMWGVYUFSAVEU-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.78
Rot. Bonds6

About 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide

5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide (PubChem CID 107197364) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
PubChem CID107197364
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
SMILESCN(CCCCCO)C(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O2/c1-17(5-3-2-4-6-18)13(19)9-7-12(16)11(15)8-10(9)14/h7-8,18H,2-6,16H2,1H3
InChIKeyAFMWGVYUFSAVEU-UHFFFAOYSA-N
XLogP1.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
CID 107197361
2,4-dichloro-5-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202624
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide (CID 107197364) is 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide is CN(CCCCCO)C(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
The InChIKey is AFMWGVYUFSAVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-17(5-3-2-4-6-18)13(19)9-7-12(16)11(15)8-10(9)14/h7-8,18H,2-6,16H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide?
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide has a molecular weight of 272.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide is sourced from PubChem (CID 107197364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).