N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide

C11H11F5N2O — CID 78907367

IUPACN-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O/c1-4(2)17-3-5(19)18-11-9(15)7(13)6(12)8(14)10(11)16/h4,17H,3H2,1-2H3,(H,18,19)
InChIKeyBHMPPGFRONZWIU-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.32
Rot. Bonds4

About N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide

N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 78907367) has the molecular formula C11H11F5N2O and a molecular weight of 282.21 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide
PubChem CID78907367
Molecular FormulaC11H11F5N2O
Molecular Weight282.21 g/mol
Exact Mass282.08
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O/c1-4(2)17-3-5(19)18-11-9(15)7(13)6(12)8(14)10(11)16/h4,17H,3H2,1-2H3,(H,18,19)
InChIKeyBHMPPGFRONZWIU-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 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 ≤ 52.32
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 N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide 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

N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894
2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide
CID 115564486
1-N,2-N,3-N-tris(2,3,4,5,6-pentafluorophenyl)propane-1,2,3-tricarboxamide
CID 88545240
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 112734747
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
3-amino-3-hydroxyimino-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 115564784
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
4-fluoro-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61157031
N-[3-(2-chlorophenyl)-2-fluorophenyl]-2-(propan-2-ylamino)acetamide
CID 130299682
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113225588
N-(2,6-dibromo-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 166661327

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide (CID 78907367) is N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is BHMPPGFRONZWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O/c1-4(2)17-3-5(19)18-11-9(15)7(13)6(12)8(14)10(11)16/h4,17H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide?
N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 282.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 78907367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).