4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide

C11H11F5N2O — CID 115564436

IUPAC4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
SMILESCC(CCN)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O/c1-4(2-3-17)11(19)18-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2-3,17H2,1H3,(H,18,19)
InChIKeyJNFGFQQJEIZTNV-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide

4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide (PubChem CID 115564436) has the molecular formula C11H11F5N2O and a molecular weight of 282.21 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
PubChem CID115564436
Molecular FormulaC11H11F5N2O
Molecular Weight282.21 g/mol
Exact Mass282.08
IUPAC Name4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
SMILESCC(CCN)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O/c1-4(2-3-17)11(19)18-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2-3,17H2,1H3,(H,18,19)
InChIKeyJNFGFQQJEIZTNV-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.31
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 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide 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

3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113336694
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564259
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
4-amino-N-(2-fluoro-6-nitrophenyl)-2-methylbutanamide
CID 81310021
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
(2S)-2-amino-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 115564487
(2,3,4,5,6-pentafluorophenyl) 4-amino-2-methylbutanoate
CID 88576361
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320
2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113225588
4-amino-N-(4-chloro-3-fluorophenyl)-2-methylbutanamide
CID 80543505
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide (CID 115564436) is 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide is CC(CCN)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide?
The InChIKey is JNFGFQQJEIZTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O/c1-4(2-3-17)11(19)18-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2-3,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide?
4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide has a molecular weight of 282.21 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide is sourced from PubChem (CID 115564436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).