N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide

C13H19ClN2O2 — CID 43179785

IUPACN-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
SMILESCCC(C)NC(=O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-4-9(2)16-13(17)8-15-11-7-10(14)5-6-12(11)18-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyWIHFKTOFHAOJDZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.68
Rot. Bonds6

About N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide

N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide (PubChem CID 43179785) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
PubChem CID43179785
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
SMILESCCC(C)NC(=O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-4-9(2)16-13(17)8-15-11-7-10(14)5-6-12(11)18-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyWIHFKTOFHAOJDZ-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(5-chloro-2-methoxyanilino)propanoylamino]butanoic acid
CID 119220785
2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
CID 108992972
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
3-(5-chloro-2-methoxyanilino)-N-heptan-2-ylpropanamide
CID 56684594
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(5-chloro-2-methoxyanilino)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 95160627
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide (CID 43179785) is N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide is CCC(C)NC(=O)CNc1cc(Cl)ccc1OC.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide?
The InChIKey is WIHFKTOFHAOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-9(2)16-13(17)8-15-11-7-10(14)5-6-12(11)18-3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide?
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide is sourced from PubChem (CID 43179785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).