2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide

C17H19ClN2O3 — CID 31054798

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide
SMILESCOc1cc(NCC(=O)N(C)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-20(12-7-5-4-6-8-12)17(21)11-19-14-10-15(22-2)13(18)9-16(14)23-3/h4-10,19H,11H2,1-3H3
InChIKeyJEYHTOSAVDULAD-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.43
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide (PubChem CID 31054798) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide
PubChem CID31054798
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide
SMILESCOc1cc(NCC(=O)N(C)c2ccccc2)c(OC)cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-20(12-7-5-4-6-8-12)17(21)11-19-14-10-15(22-2)13(18)9-16(14)23-3/h4-10,19H,11H2,1-3H3
InChIKeyJEYHTOSAVDULAD-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide (CID 31054798) is 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide is COc1cc(NCC(=O)N(C)c2ccccc2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide?
The InChIKey is JEYHTOSAVDULAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-20(12-7-5-4-6-8-12)17(21)11-19-14-10-15(22-2)13(18)9-16(14)23-3/h4-10,19H,11H2,1-3H3.
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide has a molecular weight of 334.80 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 31054798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).