2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide

C13H14Cl2N2O2 — CID 113179941

IUPAC2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
SMILESCC(=O)N(CC(=O)NC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-8(18)17(7-12(19)16-9-5-6-9)13-10(14)3-2-4-11(13)15/h2-4,9H,5-7H2,1H3,(H,16,19)
InChIKeyLKBTYWGMWPWUHO-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.62
Rot. Bonds4

About 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide

2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide (PubChem CID 113179941) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
PubChem CID113179941
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide
SMILESCC(=O)N(CC(=O)NC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-8(18)17(7-12(19)16-9-5-6-9)13-10(14)3-2-4-11(13)15/h2-4,9H,5-7H2,1H3,(H,16,19)
InChIKeyLKBTYWGMWPWUHO-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylpropanamide
CID 113134156
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
CID 113168633
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
2-(N-acetyl-2,3-dimethylanilino)-N-cyclopropylacetamide
CID 113168819
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-[N-acetyl-4-(diethylamino)anilino]-N-cyclopropylacetamide
CID 113176819
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
2-(N-acetyl-3,4-dimethylanilino)-N-cyclopropylacetamide
CID 113168237

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide (CID 113179941) is 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide is CC(=O)N(CC(=O)NC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide?
The InChIKey is LKBTYWGMWPWUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-8(18)17(7-12(19)16-9-5-6-9)13-10(14)3-2-4-11(13)15/h2-4,9H,5-7H2,1H3,(H,16,19).
What are the key properties of 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide?
2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide has a molecular weight of 301.17 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,6-dichloroanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 113179941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).