2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

C23H26ClFN2O2 — CID 4688312

IUPAC2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C23H26ClFN2O2/c24-15-21(28)27(16-17-7-3-1-4-8-17)22(18-11-13-19(25)14-12-18)23(29)26-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,22H,2,5-6,9-10,15-16H2,(H,26,29)
InChIKeyVIGPMYPWZRHPDS-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.58
Rot. Bonds7

About 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide

2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (PubChem CID 4688312) has the molecular formula C23H26ClFN2O2 and a molecular weight of 416.92 g/mol. Its IUPAC name is 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
PubChem CID4688312
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC Name2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C23H26ClFN2O2/c24-15-21(28)27(16-17-7-3-1-4-8-17)22(18-11-13-19(25)14-12-18)23(29)26-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,22H,2,5-6,9-10,15-16H2,(H,26,29)
InChIKeyVIGPMYPWZRHPDS-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(2-chloroacetyl)amino]-2-(4-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 86809954
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 4642384
(2S)-2-[benzyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1457715
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688308
2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 4109390
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-hexoxyphenyl)acetamide
CID 86810164
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1155747
2-[(2-chloroacetyl)-cyclopentylamino]-N-cycloheptyl-2-(4-fluorophenyl)acetamide
CID 3506765
2-[(2-chloroacetyl)-cyclohexylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688301
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide (CID 4688312) is 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
The InChIKey is VIGPMYPWZRHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c24-15-21(28)27(16-17-7-3-1-4-8-17)22(18-11-13-19(25)14-12-18)23(29)26-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20,22H,2,5-6,9-10,15-16H2,(H,26,29).
What are the key properties of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide?
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide has a molecular weight of 416.92 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4688312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).