2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide

C23H22ClF2N5O3 — CID 162533701

IUPAC2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide
SMILESO=C(NC1CCC(F)(F)CC1)C(c1ccnnc1)N(C(=O)CCl)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-13-27-14-34-19)21(16-7-10-28-29-12-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)
InChIKeyFWZARYIQHFWSLZ-UHFFFAOYSA-N
MW489.91 g/mol
LogP4.14
Rot. Bonds7

About 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide

2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide (PubChem CID 162533701) has the molecular formula C23H22ClF2N5O3 and a molecular weight of 489.91 g/mol. Its IUPAC name is 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide
PubChem CID162533701
Molecular FormulaC23H22ClF2N5O3
Molecular Weight489.91 g/mol
Exact Mass489.14
IUPAC Name2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide
SMILESO=C(NC1CCC(F)(F)CC1)C(c1ccnnc1)N(C(=O)CCl)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-13-27-14-34-19)21(16-7-10-28-29-12-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)
InChIKeyFWZARYIQHFWSLZ-UHFFFAOYSA-N
XLogP4.14
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide 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 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide?
The IUPAC name of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide (CID 162533701) is 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide?
The canonical SMILES for 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide is O=C(NC1CCC(F)(F)CC1)C(c1ccnnc1)N(C(=O)CCl)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide?
The InChIKey is FWZARYIQHFWSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-13-27-14-34-19)21(16-7-10-28-29-12-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33).
What are the key properties of 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide?
2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide has a molecular weight of 489.91 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-chloroacetyl)-4-(1,3-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyridazin-4-ylacetamide is sourced from PubChem (CID 162533701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).