2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide

C12H13F5N2O — CID 115564259

IUPAC2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O/c1-2-3-5(4-18)12(20)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,2-4,18H2,1H3,(H,19,20)
InChIKeyZLKYJGOLOMDOTB-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.70
Rot. Bonds5

About 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide

2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide (PubChem CID 115564259) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
PubChem CID115564259
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O/c1-2-3-5(4-18)12(20)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,2-4,18H2,1H3,(H,19,20)
InChIKeyZLKYJGOLOMDOTB-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide 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

(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
CID 112741868
4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564436
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
1-N,2-N,3-N-tris(2,3,4,5,6-pentafluorophenyl)propane-1,2,3-tricarboxamide
CID 88545240
3-[2-(aminomethyl)pentanoylamino]-4-fluorobenzoic acid
CID 65225321
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
5-[2-(aminomethyl)pentanoylamino]benzene-1,3-dicarboxylic acid
CID 65229252
ethyl N-[4-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65225386
methyl 4-[2-(aminomethyl)pentanoylamino]benzoate
CID 65229383
2-(aminomethyl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)pentanamide
CID 114387208
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide (CID 115564259) is 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide is CCCC(CN)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
The InChIKey is ZLKYJGOLOMDOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O/c1-2-3-5(4-18)12(20)19-11-9(16)7(14)6(13)8(15)10(11)17/h5H,2-4,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide?
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide has a molecular weight of 296.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide is sourced from PubChem (CID 115564259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).