2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C17H18Cl2N2O3 — CID 26417644

IUPAC2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C17H18Cl2N2O3/c1-23-15-4-3-11(5-16(15)24-2)9-21-17(22)10-20-14-7-12(18)6-13(19)8-14/h3-8,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyQXYKBZDAPRZEOX-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.74
Rot. Bonds7

About 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 26417644) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID26417644
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cc(Cl)cc(Cl)c2)cc1OC
InChIInChI=1S/C17H18Cl2N2O3/c1-23-15-4-3-11(5-16(15)24-2)9-21-17(22)10-20-14-7-12(18)6-13(19)8-14/h3-8,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyQXYKBZDAPRZEOX-UHFFFAOYSA-N
XLogP3.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
2-[4-(diethylamino)anilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003192
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544425
4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9269080
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 26417644) is 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2cc(Cl)cc(Cl)c2)cc1OC.
What is the InChIKey of 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is QXYKBZDAPRZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-23-15-4-3-11(5-16(15)24-2)9-21-17(22)10-20-14-7-12(18)6-13(19)8-14/h3-8,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 369.25 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 26417644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).