2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide

C24H22ClN3O2 — CID 162396337

IUPAC2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide
SMILESO=C(NC1CC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22ClN3O2/c25-15-22(29)28(21-12-8-18(9-13-21)17-5-2-1-3-6-17)23(19-7-4-14-26-16-19)24(30)27-20-10-11-20/h1-9,12-14,16,20,23H,10-11,15H2,(H,27,30)
InChIKeyDISJOFYDDCHFJN-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.34
Rot. Bonds7

About 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide

2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide (PubChem CID 162396337) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide
PubChem CID162396337
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide
SMILESO=C(NC1CC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22ClN3O2/c25-15-22(29)28(21-12-8-18(9-13-21)17-5-2-1-3-6-17)23(19-7-4-14-26-16-19)24(30)27-20-10-11-20/h1-9,12-14,16,20,23H,10-11,15H2,(H,27,30)
InChIKeyDISJOFYDDCHFJN-UHFFFAOYSA-N
XLogP4.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.34
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-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide (CID 162396337) is 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide is O=C(NC1CC1)C(c1cccnc1)N(C(=O)CCl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide?
The InChIKey is DISJOFYDDCHFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-15-22(29)28(21-12-8-18(9-13-21)17-5-2-1-3-6-17)23(19-7-4-14-26-16-19)24(30)27-20-10-11-20/h1-9,12-14,16,20,23H,10-11,15H2,(H,27,30).
What are the key properties of 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide?
2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide has a molecular weight of 419.91 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chloroacetyl)-4-phenylanilino)-N-cyclopropyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 162396337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).