2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide

C13H16Cl2N2O2 — CID 113179672

IUPAC2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-8(2)16-13(19)7-17(9(3)18)12-6-10(14)4-5-11(12)15/h4-6,8H,7H2,1-3H3,(H,16,19)
InChIKeyOSMMZELAJICYSN-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.87
Rot. Bonds4

About 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide

2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide (PubChem CID 113179672) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide
PubChem CID113179672
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-8(2)16-13(19)7-17(9(3)18)12-6-10(14)4-5-11(12)15/h4-6,8H,7H2,1-3H3,(H,16,19)
InChIKeyOSMMZELAJICYSN-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538
2-(N-acetyl-5-chloro-2-methylanilino)-N-(1-phenylethyl)acetamide
CID 113171855
2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 113179265
2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113179717
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-[2-(aminomethyl)-5-chloro-N-ethylanilino]-N-propan-2-ylacetamide
CID 63081108
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
CID 113172837
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113181358

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide (CID 113179672) is 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide is CC(=O)N(CC(=O)NC(C)C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide?
The InChIKey is OSMMZELAJICYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8(2)16-13(19)7-17(9(3)18)12-6-10(14)4-5-11(12)15/h4-6,8H,7H2,1-3H3,(H,16,19).
What are the key properties of 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide?
2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide has a molecular weight of 303.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 113179672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).