2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide

C13H16Cl2N2O2 — CID 63100059

IUPAC2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)NC1CCOCC1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-1-2-12(11(15)7-9)16-8-13(18)17-10-3-5-19-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyHZYJKGVYLITMTH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.70
Rot. Bonds4

About 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide

2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide (PubChem CID 63100059) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
PubChem CID63100059
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
SMILESO=C(CNc1ccc(Cl)cc1Cl)NC1CCOCC1
InChIInChI=1S/C13H16Cl2N2O2/c14-9-1-2-12(11(15)7-9)16-8-13(18)17-10-3-5-19-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyHZYJKGVYLITMTH-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
2-(2-chloro-4-cyanoanilino)-N-(oxan-4-yl)acetamide
CID 107807783
2-(2-fluoro-4-methylanilino)-N-(oxan-4-yl)acetamide
CID 63099891
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-(naphthalen-1-ylamino)-N-(oxan-4-yl)acetamide
CID 63099020
N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
N-cyclopropyl-2-(2,5-difluoroanilino)acetamide
CID 28574514
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 55046977
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide (CID 63100059) is 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide is O=C(CNc1ccc(Cl)cc1Cl)NC1CCOCC1.
What is the InChIKey of 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide?
The InChIKey is HZYJKGVYLITMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-1-2-12(11(15)7-9)16-8-13(18)17-10-3-5-19-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18).
What are the key properties of 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide?
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide has a molecular weight of 303.19 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63100059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).