2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

C23H27Cl2N3O2 — CID 162533663

IUPAC2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1cccnc1)N(CCc1cccc(Cl)c1)C(=O)CCl
InChIInChI=1S/C23H27Cl2N3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30)
InChIKeyDNQFCIWJUBHKGQ-UHFFFAOYSA-N
MW448.39 g/mol
LogP4.54
Rot. Bonds8

About 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (PubChem CID 162533663) has the molecular formula C23H27Cl2N3O2 and a molecular weight of 448.39 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
PubChem CID162533663
Molecular FormulaC23H27Cl2N3O2
Molecular Weight448.39 g/mol
Exact Mass447.15
IUPAC Name2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESO=C(NC1CCCCC1)C(c1cccnc1)N(CCc1cccc(Cl)c1)C(=O)CCl
InChIInChI=1S/C23H27Cl2N3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30)
InChIKeyDNQFCIWJUBHKGQ-UHFFFAOYSA-N
XLogP4.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (CID 162533663) is 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is O=C(NC1CCCCC1)C(c1cccnc1)N(CCc1cccc(Cl)c1)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The InChIKey is DNQFCIWJUBHKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30).
What are the key properties of 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide has a molecular weight of 448.39 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 162533663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).