2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide

C20H20Cl2F2N4O7S — CID 87092196

IUPAC2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide
SMILESCN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NC(=O)CCl
InChIInChI=1S/C20H20Cl2F2N4O7S/c1-27(20(31)25-17(29)10-21)6-7-28(11-18(30)26-32)36(33,34)14-8-15(23)19(16(24)9-14)35-13-4-2-12(22)3-5-13/h2-5,8-9,32H,6-7,10-11H2,1H3,(H,26,30)(H,25,29,31)
InChIKeyDYGWABMLLJPGBD-UHFFFAOYSA-N
MW569.37 g/mol
LogP2.31
Rot. Bonds10

About 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide

2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide (PubChem CID 87092196) has the molecular formula C20H20Cl2F2N4O7S and a molecular weight of 569.37 g/mol. Its IUPAC name is 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide
PubChem CID87092196
Molecular FormulaC20H20Cl2F2N4O7S
Molecular Weight569.37 g/mol
Exact Mass568.04
IUPAC Name2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide
SMILESCN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NC(=O)CCl
InChIInChI=1S/C20H20Cl2F2N4O7S/c1-27(20(31)25-17(29)10-21)6-7-28(11-18(30)26-32)36(33,34)14-8-15(23)19(16(24)9-14)35-13-4-2-12(22)3-5-13/h2-5,8-9,32H,6-7,10-11H2,1H3,(H,26,30)(H,25,29,31)
InChIKeyDYGWABMLLJPGBD-UHFFFAOYSA-N
XLogP2.31
TPSA145.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide 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-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide?
The IUPAC name of 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide (CID 87092196) is 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide is CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)NC(=O)CCl.
What is the InChIKey of 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide?
The InChIKey is DYGWABMLLJPGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N4O7S/c1-27(20(31)25-17(29)10-21)6-7-28(11-18(30)26-32)36(33,34)14-8-15(23)19(16(24)9-14)35-13-4-2-12(22)3-5-13/h2-5,8-9,32H,6-7,10-11H2,1H3,(H,26,30)(H,25,29,31).
What are the key properties of 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide?
2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide has a molecular weight of 569.37 g/mol, XLogP of 2.31, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloroacetyl)carbamoyl-methylamino]ethyl-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonylamino]-N-hydroxyacetamide is sourced from PubChem (CID 87092196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).