N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide

C21H22Cl2N2O4 — CID 42939871

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H22Cl2N2O4/c1-25(12-19(26)24-20-17(22)8-3-9-18(20)23)21(27)14-5-2-6-15(11-14)29-13-16-7-4-10-28-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,24,26)
InChIKeySDOAKAMWKIDCPH-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.26
Rot. Bonds7

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42939871) has the molecular formula C21H22Cl2N2O4 and a molecular weight of 437.32 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID42939871
Molecular FormulaC21H22Cl2N2O4
Molecular Weight437.32 g/mol
Exact Mass436.10
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H22Cl2N2O4/c1-25(12-19(26)24-20-17(22)8-3-9-18(20)23)21(27)14-5-2-6-15(11-14)29-13-16-7-4-10-28-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,24,26)
InChIKeySDOAKAMWKIDCPH-UHFFFAOYSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 9417466
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044155
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethoxy)benzamide
CID 42924031
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(dimethylamino)-N-methylbenzamide
CID 9431771
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 9089493
N-(2,6-dichlorophenyl)-2-(oxolan-2-yl)acetamide
CID 110696672
2-(dipropylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54818764
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 24818207

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide (CID 42939871) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is SDOAKAMWKIDCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O4/c1-25(12-19(26)24-20-17(22)8-3-9-18(20)23)21(27)14-5-2-6-15(11-14)29-13-16-7-4-10-28-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,24,26).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 437.32 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42939871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).