N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide

C16H21Cl2N3O3 — CID 119682918

IUPACN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNCC1CCCO1
InChIInChI=1S/C16H21Cl2N3O3/c1-21(16(23)9-19-8-12-3-2-6-24-12)10-15(22)20-11-4-5-13(17)14(18)7-11/h4-5,7,12,19H,2-3,6,8-10H2,1H3,(H,20,22)
InChIKeyLEFADVKFCWHFEY-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 119682918) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID119682918
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC NameN-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNCC1CCCO1
InChIInChI=1S/C16H21Cl2N3O3/c1-21(16(23)9-19-8-12-3-2-6-24-12)10-15(22)20-11-4-5-13(17)14(18)7-11/h4-5,7,12,19H,2-3,6,8-10H2,1H3,(H,20,22)
InChIKeyLEFADVKFCWHFEY-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119677925
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethoxy)benzamide
CID 42924031
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119691955
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 21174252
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-[2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55347351

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide (CID 119682918) is N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CNCC1CCCO1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is LEFADVKFCWHFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3/c1-21(16(23)9-19-8-12-3-2-6-24-12)10-15(22)20-11-4-5-13(17)14(18)7-11/h4-5,7,12,19H,2-3,6,8-10H2,1H3,(H,20,22).
What are the key properties of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 374.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 119682918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).