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

C23H26ClFN2O2 — CID 4642384

IUPAC2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C23H26ClFN2O2/c24-15-21(28)27(16-17-9-3-1-4-10-17)22(19-13-7-8-14-20(19)25)23(29)26-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,22H,2,5-6,11-12,15-16H2,(H,26,29)
InChIKeyCXWRLAFLWIAPDG-UHFFFAOYSA-N
MW416.92 g/mol
LogP4.58
Rot. Bonds7

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

2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide (PubChem CID 4642384) 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-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
PubChem CID4642384
Molecular FormulaC23H26ClFN2O2
Molecular Weight416.92 g/mol
Exact Mass416.17
IUPAC Name2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
SMILESO=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C23H26ClFN2O2/c24-15-21(28)27(16-17-9-3-1-4-10-17)22(19-13-7-8-14-20(19)25)23(29)26-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,22H,2,5-6,11-12,15-16H2,(H,26,29)
InChIKeyCXWRLAFLWIAPDG-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'}

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Related Compounds

2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 4688312
2-[(2-chloroacetyl)-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 4086572
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
N-cyclopentyl-2-(2-fluorophenyl)-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202805
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809840
N-cyclohexyl-N'-[2-(cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 3220032
2-[(2-chloroacetyl)-[(3-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809836
2-[benzyl-(2-chloroacetyl)amino]-2-(4-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 86809954
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(4-hexoxyphenyl)acetamide
CID 86810164
2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 86809828
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132986143
(2S)-2-[(2-chloroacetyl)-(furan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 51393782

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide (CID 4642384) is 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide is O=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
The InChIKey is CXWRLAFLWIAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O2/c24-15-21(28)27(16-17-9-3-1-4-10-17)22(19-13-7-8-14-20(19)25)23(29)26-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18,22H,2,5-6,11-12,15-16H2,(H,26,29).
What are the key properties of 2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide?
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-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-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4642384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).