3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C18H21ClN2O3 — CID 109028172

IUPAC3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-23-16-7-6-13(10-17(16)24-2)12-21-18(22)8-9-20-15-5-3-4-14(19)11-15/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)
InChIKeyVKTISIXCGBMMEA-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.48
Rot. Bonds8

About 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 109028172) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID109028172
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H21ClN2O3/c1-23-16-7-6-13(10-17(16)24-2)12-21-18(22)8-9-20-15-5-3-4-14(19)11-15/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22)
InChIKeyVKTISIXCGBMMEA-UHFFFAOYSA-N
XLogP3.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
3-(4-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028224
3-(1,3-benzodioxol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028209
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 109028172) is 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCNc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is VKTISIXCGBMMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-16-7-6-13(10-17(16)24-2)12-21-18(22)8-9-20-15-5-3-4-14(19)11-15/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 348.83 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 109028172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).