N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide

C20H21Cl2NO3 — CID 112803371

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1OCC1CCCO1
InChIInChI=1S/C20H21Cl2NO3/c21-15-8-7-14(18(22)12-15)9-10-23-20(24)17-5-1-2-6-19(17)26-13-16-4-3-11-25-16/h1-2,5-8,12,16H,3-4,9-11,13H2,(H,23,24)
InChIKeyVNJTXPODQFBARP-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.52
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 112803371) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID112803371
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1OCC1CCCO1
InChIInChI=1S/C20H21Cl2NO3/c21-15-8-7-14(18(22)12-15)9-10-23-20(24)17-5-1-2-6-19(17)26-13-16-4-3-11-25-16/h1-2,5-8,12,16H,3-4,9-11,13H2,(H,23,24)
InChIKeyVNJTXPODQFBARP-UHFFFAOYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 24658110
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749
2-[(2,4-dichlorophenyl)methoxy]-N-(oxan-3-yl)benzamide
CID 56558388
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 100730258
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide (CID 112803371) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide is O=C(NCCc1ccc(Cl)cc1Cl)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is VNJTXPODQFBARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c21-15-8-7-14(18(22)12-15)9-10-23-20(24)17-5-1-2-6-19(17)26-13-16-4-3-11-25-16/h1-2,5-8,12,16H,3-4,9-11,13H2,(H,23,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 394.30 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 112803371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).