N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide

C13H15F5N2O — CID 106153328

IUPACN-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(CN)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5N2O/c1-6(5-19)3-2-4-20-13(21)7-8(14)10(16)12(18)11(17)9(7)15/h6H,2-5,19H2,1H3,(H,20,21)
InChIKeyGNNPLNPRQHBXHO-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.49
Rot. Bonds6

About N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide

N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 106153328) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID106153328
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC NameN-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(CN)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H15F5N2O/c1-6(5-19)3-2-4-20-13(21)7-8(14)10(16)12(18)11(17)9(7)15/h6H,2-5,19H2,1H3,(H,20,21)
InChIKeyGNNPLNPRQHBXHO-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5,6-pentafluoro-N-(4-hydroxypentyl)benzamide
CID 106120495
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 106307985
N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
CID 106153392
2,3,4,5,6-pentafluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243310
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
N-(5-amino-4-methylpentyl)-2-(4-methylphenyl)acetamide
CID 114150778

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide (CID 106153328) is N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide is CC(CN)CCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is GNNPLNPRQHBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-6(5-19)3-2-4-20-13(21)7-8(14)10(16)12(18)11(17)9(7)15/h6H,2-5,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide?
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 310.27 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 106153328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).