N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide

C14H17Cl2N3O2 — CID 24510584

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2/c1-19(8-13(20)18-9-2-3-9)14(21)7-17-10-4-5-11(15)12(16)6-10/h4-6,9,17H,2-3,7-8H2,1H3,(H,18,20)
InChIKeySKARMVZWACCWAR-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide (PubChem CID 24510584) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
PubChem CID24510584
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3O2/c1-19(8-13(20)18-9-2-3-9)14(21)7-17-10-4-5-11(15)12(16)6-10/h4-6,9,17H,2-3,7-8H2,1H3,(H,18,20)
InChIKeySKARMVZWACCWAR-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 86907623
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide
CID 24510669
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
CID 24510602
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide
CID 119682918
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-cyclopropyl-4-[(E)-3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzamide
CID 35678805
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 21174252
N-cyclopropyl-2-(3,4-difluoroanilino)acetamide
CID 28579858

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide (CID 24510584) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide is CN(CC(=O)NC1CC1)C(=O)CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide?
The InChIKey is SKARMVZWACCWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-19(8-13(20)18-9-2-3-9)14(21)7-17-10-4-5-11(15)12(16)6-10/h4-6,9,17H,2-3,7-8H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide has a molecular weight of 330.22 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide is sourced from PubChem (CID 24510584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).