N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide

C23H19Cl3N2O2 — CID 3512109

IUPACN,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide
SMILESO=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H19Cl3N2O2/c24-23(25,26)22(30)27-20-14-8-7-13-19(20)21(29)28(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,27,30)
InChIKeyAQEKMLDVSPXSJX-UHFFFAOYSA-N
MW461.78 g/mol
LogP5.84
Rot. Bonds6

About N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide

N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide (PubChem CID 3512109) has the molecular formula C23H19Cl3N2O2 and a molecular weight of 461.78 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide
PubChem CID3512109
Molecular FormulaC23H19Cl3N2O2
Molecular Weight461.78 g/mol
Exact Mass460.05
IUPAC NameN,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide
SMILESO=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H19Cl3N2O2/c24-23(25,26)22(30)27-20-14-8-7-13-19(20)21(29)28(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,27,30)
InChIKeyAQEKMLDVSPXSJX-UHFFFAOYSA-N
XLogP5.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 55.84
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

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CID 108963299
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
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ethyl 2-[[benzyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]benzoate
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CID 17311665

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide?
The IUPAC name of N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide (CID 3512109) is N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide.
What is the SMILES notation for N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide?
The canonical SMILES for N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide is O=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide?
The InChIKey is AQEKMLDVSPXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3N2O2/c24-23(25,26)22(30)27-20-14-8-7-13-19(20)21(29)28(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,27,30).
What are the key properties of N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide?
N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide has a molecular weight of 461.78 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[(2,2,2-trichloroacetyl)amino]benzamide is sourced from PubChem (CID 3512109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).