2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide

C11H15ClN2O2 — CID 28578226

IUPAC2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)N(C)C
InChIInChI=1S/C11H15ClN2O2/c1-14(2)11(15)7-13-9-6-8(12)4-5-10(9)16-3/h4-6,13H,7H2,1-3H3
InChIKeyRIVJCXRIIOKPRZ-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.85
Rot. Bonds4

About 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide

2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide (PubChem CID 28578226) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
PubChem CID28578226
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)N(C)C
InChIInChI=1S/C11H15ClN2O2/c1-14(2)11(15)7-13-9-6-8(12)4-5-10(9)16-3/h4-6,13H,7H2,1-3H3
InChIKeyRIVJCXRIIOKPRZ-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
CID 108999015
2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
CID 86791806
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(5-chloro-2-methoxyanilino)-N-prop-2-enylacetamide
CID 108992972
2-[3-(5-chloro-2-methoxyanilino)propanoyl-methylamino]propanoic acid
CID 119208863
3-(5-chloro-2-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79630107
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide (CID 28578226) is 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide is COc1ccc(Cl)cc1NCC(=O)N(C)C.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide?
The InChIKey is RIVJCXRIIOKPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)11(15)7-13-9-6-8(12)4-5-10(9)16-3/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide?
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide has a molecular weight of 242.71 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 28578226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).