5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide

C22H25Cl2N3O2 — CID 1066057

IUPAC5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESO=C(NCCc1ccccc1)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCCCC1
InChIInChI=1S/C22H25Cl2N3O2/c23-20(24)22(29)26-17-9-10-19(27-13-5-2-6-14-27)18(15-17)21(28)25-12-11-16-7-3-1-4-8-16/h1,3-4,7-10,15,20H,2,5-6,11-14H2,(H,25,28)(H,26,29)
InChIKeyWDVPVDIBSBYYCG-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.39
Rot. Bonds7

About 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide

5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide (PubChem CID 1066057) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
PubChem CID1066057
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESO=C(NCCc1ccccc1)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCCCC1
InChIInChI=1S/C22H25Cl2N3O2/c23-20(24)22(29)26-17-9-10-19(27-13-5-2-6-14-27)18(15-17)21(28)25-12-11-16-7-3-1-4-8-16/h1,3-4,7-10,15,20H,2,5-6,11-14H2,(H,25,28)(H,26,29)
InChIKeyWDVPVDIBSBYYCG-UHFFFAOYSA-N
XLogP4.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethylhexanoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3259477
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661834
5-(3,3-dimethylbutanoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1066073
5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 42661823
5-[(3-ethylphenyl)carbamoylamino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide
CID 1067045
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1063328
5-[(2-chloro-2-phenylacetyl)amino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755847
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
CID 1065967
N-(2-phenylethyl)-2-pyrrolidin-1-yl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 1065454
5-[(2,4-dimethoxyphenyl)carbamoylamino]-N-(2-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 1065465

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide (CID 1066057) is 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide is O=C(NCCc1ccccc1)c1cc(NC(=O)C(Cl)Cl)ccc1N1CCCCC1.
What is the InChIKey of 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is WDVPVDIBSBYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c23-20(24)22(29)26-17-9-10-19(27-13-5-2-6-14-27)18(15-17)21(28)25-12-11-16-7-3-1-4-8-16/h1,3-4,7-10,15,20H,2,5-6,11-14H2,(H,25,28)(H,26,29).
What are the key properties of 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide?
5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 434.37 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dichloroacetyl)amino]-N-(2-phenylethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).