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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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-phenyl-N-propan-2-ylacetamide
CID 30573201
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N-carbamoyl-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 28572784
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
2-(4-chloro-2,5-dimethoxyanilino)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110654822
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368

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).