N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide

C22H24Cl3NO3 — CID 66975431

IUPACN-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide
SMILESCC1(C)OCC(C(CN(Cc2ccccc2)C(=O)CCl)c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C22H24Cl3NO3/c1-22(2)28-14-20(29-22)17(16-8-9-18(24)19(25)10-16)13-26(21(27)11-23)12-15-6-4-3-5-7-15/h3-10,17,20H,11-14H2,1-2H3
InChIKeyGZVKRGZRJGJINV-UHFFFAOYSA-N
MW456.80 g/mol
LogP5.50
Rot. Bonds7

About N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide

N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide (PubChem CID 66975431) has the molecular formula C22H24Cl3NO3 and a molecular weight of 456.80 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide
PubChem CID66975431
Molecular FormulaC22H24Cl3NO3
Molecular Weight456.80 g/mol
Exact Mass455.08
IUPAC NameN-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide
SMILESCC1(C)OCC(C(CN(Cc2ccccc2)C(=O)CCl)c2ccc(Cl)c(Cl)c2)O1
InChIInChI=1S/C22H24Cl3NO3/c1-22(2)28-14-20(29-22)17(16-8-9-18(24)19(25)10-16)13-26(21(27)11-23)12-15-6-4-3-5-7-15/h3-10,17,20H,11-14H2,1-2H3
InChIKeyGZVKRGZRJGJINV-UHFFFAOYSA-N
XLogP5.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.80
LogP ≤ 55.50
H-Bond Donors ≤ 50
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 N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide?
The IUPAC name of N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide (CID 66975431) is N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide?
The canonical SMILES for N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide is CC1(C)OCC(C(CN(Cc2ccccc2)C(=O)CCl)c2ccc(Cl)c(Cl)c2)O1.
What is the InChIKey of N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide?
The InChIKey is GZVKRGZRJGJINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl3NO3/c1-22(2)28-14-20(29-22)17(16-8-9-18(24)19(25)10-16)13-26(21(27)11-23)12-15-6-4-3-5-7-15/h3-10,17,20H,11-14H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide?
N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide has a molecular weight of 456.80 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-[2-(3,4-dichlorophenyl)-2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]acetamide is sourced from PubChem (CID 66975431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).