2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide

C23H22ClN5O4 — CID 3044713

IUPAC2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(-c2ccc(Cl)cc2)n1)NO
InChIInChI=1S/C23H22ClN5O4/c24-17-5-1-15(2-6-17)22-26-19(14-21(30)28-32)13-20(27-22)25-18-7-3-16(4-8-18)23(31)29-9-11-33-12-10-29/h1-8,13,32H,9-12,14H2,(H,28,30)(H,25,26,27)
InChIKeyLURXQNRNYDAQOY-UHFFFAOYSA-N
MW467.91 g/mol
LogP3.06
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide

2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide (PubChem CID 3044713) has the molecular formula C23H22ClN5O4 and a molecular weight of 467.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide
PubChem CID3044713
Molecular FormulaC23H22ClN5O4
Molecular Weight467.91 g/mol
Exact Mass467.14
IUPAC Name2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(-c2ccc(Cl)cc2)n1)NO
InChIInChI=1S/C23H22ClN5O4/c24-17-5-1-15(2-6-17)22-26-19(14-21(30)28-32)13-20(27-22)25-18-7-3-16(4-8-18)23(31)29-9-11-33-12-10-29/h1-8,13,32H,9-12,14H2,(H,28,30)(H,25,26,27)
InChIKeyLURXQNRNYDAQOY-UHFFFAOYSA-N
XLogP3.06
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-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-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide (CID 3044713) is 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide is O=C(Cc1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)nc(-c2ccc(Cl)cc2)n1)NO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide?
The InChIKey is LURXQNRNYDAQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O4/c24-17-5-1-15(2-6-17)22-26-19(14-21(30)28-32)13-20(27-22)25-18-7-3-16(4-8-18)23(31)29-9-11-33-12-10-29/h1-8,13,32H,9-12,14H2,(H,28,30)(H,25,26,27).
What are the key properties of 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide?
2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide has a molecular weight of 467.91 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 3044713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).