N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide

C18H18Cl2N2O3 — CID 27807515

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1O
InChIInChI=1S/C18H18Cl2N2O3/c1-22(17(25)10-9-12-5-2-3-8-15(12)23)11-16(24)21-18-13(19)6-4-7-14(18)20/h2-8,23H,9-11H2,1H3,(H,21,24)
InChIKeyDCAPOYCFCGZIKY-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide (PubChem CID 27807515) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
PubChem CID27807515
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1O
InChIInChI=1S/C18H18Cl2N2O3/c1-22(17(25)10-9-12-5-2-3-8-15(12)23)11-16(24)21-18-13(19)6-4-7-14(18)20/h2-8,23H,9-11H2,1H3,(H,21,24)
InChIKeyDCAPOYCFCGZIKY-UHFFFAOYSA-N
XLogP3.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 27807442
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429
methyl 2-[3-(2-hydroxyphenyl)propanoyl-methylamino]acetate
CID 43409761
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224
3-(2-chlorophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 51058277
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-ethylpropanamide
CID 31713240
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26021542
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylpropanamide
CID 86944125
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-N-methylpropanamide
CID 36913449

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide (CID 27807515) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1O.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is DCAPOYCFCGZIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-22(17(25)10-9-12-5-2-3-8-15(12)23)11-16(24)21-18-13(19)6-4-7-14(18)20/h2-8,23H,9-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 381.26 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 27807515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).