N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide

C24H22Cl2N2O3 — CID 27744494

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-28(15-22(29)27-23-20(25)9-6-10-21(23)26)24(30)18-11-13-19(14-12-18)31-16-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H,27,29)
InChIKeyFSXOJLPBZSBEBY-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.67
Rot. Bonds8

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide (PubChem CID 27744494) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
PubChem CID27744494
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-2-28(15-22(29)27-23-20(25)9-6-10-21(23)26)24(30)18-11-13-19(14-12-18)31-16-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H,27,29)
InChIKeyFSXOJLPBZSBEBY-UHFFFAOYSA-N
XLogP5.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607897
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-phenylmethoxybenzamide
CID 27741024
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 24553205
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(difluoromethoxy)-N-ethyl-4-methoxybenzamide
CID 46490871
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-phenylmethoxybenzamide
CID 33284692
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide (CID 27744494) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide?
The InChIKey is FSXOJLPBZSBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-2-28(15-22(29)27-23-20(25)9-6-10-21(23)26)24(30)18-11-13-19(14-12-18)31-16-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H,27,29).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide has a molecular weight of 457.36 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 27744494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).