4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide

C25H23Cl2NO3 — CID 59121252

IUPAC4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(CC2(Cc3ccc(Cl)c(Cl)c3)OCCO2)cc1
InChIInChI=1S/C25H23Cl2NO3/c1-17-4-2-3-5-23(17)28-24(29)20-9-6-18(7-10-20)15-25(30-12-13-31-25)16-19-8-11-21(26)22(27)14-19/h2-11,14H,12-13,15-16H2,1H3,(H,28,29)
InChIKeyUETGNRNOHYVDLL-UHFFFAOYSA-N
MW456.37 g/mol
LogP6.08
Rot. Bonds6

About 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide

4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide (PubChem CID 59121252) has the molecular formula C25H23Cl2NO3 and a molecular weight of 456.37 g/mol. Its IUPAC name is 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
PubChem CID59121252
Molecular FormulaC25H23Cl2NO3
Molecular Weight456.37 g/mol
Exact Mass455.11
IUPAC Name4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(CC2(Cc3ccc(Cl)c(Cl)c3)OCCO2)cc1
InChIInChI=1S/C25H23Cl2NO3/c1-17-4-2-3-5-23(17)28-24(29)20-9-6-18(7-10-20)15-25(30-12-13-31-25)16-19-8-11-21(26)22(27)14-19/h2-11,14H,12-13,15-16H2,1H3,(H,28,29)
InChIKeyUETGNRNOHYVDLL-UHFFFAOYSA-N
XLogP6.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
CID 72522754
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
CID 59121264
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-[1-[4-[3-(3,4-dichlorophenyl)propyl]phenyl]ethenyl]-2-methylaniline
CID 59121257
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
3-benzyl-3-methyl-N-(2-methylphenyl)-2H-1-benzofuran-5-carboxamide;ethane
CID 142619516

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide (CID 59121252) is 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(CC2(Cc3ccc(Cl)c(Cl)c3)OCCO2)cc1.
What is the InChIKey of 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide?
The InChIKey is UETGNRNOHYVDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2NO3/c1-17-4-2-3-5-23(17)28-24(29)20-9-6-18(7-10-20)15-25(30-12-13-31-25)16-19-8-11-21(26)22(27)14-19/h2-11,14H,12-13,15-16H2,1H3,(H,28,29).
What are the key properties of 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide?
4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide has a molecular weight of 456.37 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 59121252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).