N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide

C11H20ClF2NO2 — CID 103212373

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)CC(CCl)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H20ClF2NO2/c1-8(2)5-9(6-12)15-11(16)3-4-17-7-10(13)14/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyVRLJLBNTUODHGR-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.43
Rot. Bonds9

About N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide

N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103212373) has the molecular formula C11H20ClF2NO2 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103212373
Molecular FormulaC11H20ClF2NO2
Molecular Weight271.74 g/mol
Exact Mass271.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCC(C)CC(CCl)NC(=O)CCOCC(F)F
InChIInChI=1S/C11H20ClF2NO2/c1-8(2)5-9(6-12)15-11(16)3-4-17-7-10(13)14/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyVRLJLBNTUODHGR-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103212373) is N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CC(C)CC(CCl)NC(=O)CCOCC(F)F.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is VRLJLBNTUODHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClF2NO2/c1-8(2)5-9(6-12)15-11(16)3-4-17-7-10(13)14/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 271.74 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103212373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).