2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide

C13H18Cl2N2O — CID 65469961

IUPAC2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-9(4-2)17-12(18)8-16-13-10(14)6-5-7-11(13)15/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVTSMQIYWHUIVBA-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.71
Rot. Bonds6

About 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide

2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide (PubChem CID 65469961) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
PubChem CID65469961
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-3-9(4-2)17-12(18)8-16-13-10(14)6-5-7-11(13)15/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyVTSMQIYWHUIVBA-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2-(3,4-dichloroanilino)-N-pentan-3-ylacetamide
CID 60671364
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-pentan-3-ylacetamide
CID 81377630
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
2-(3-chloro-2-formylphenoxy)-N-pentan-3-ylacetamide
CID 61490026
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988
2-(2-fluoroanilino)-N-pentan-3-ylacetamide
CID 60671369
2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)acetamide
CID 65469582

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide (CID 65469961) is 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide?
The InChIKey is VTSMQIYWHUIVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-9(4-2)17-12(18)8-16-13-10(14)6-5-7-11(13)15/h5-7,9,16H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide?
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide has a molecular weight of 289.21 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 65469961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).