3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide

C17H17Cl2NO3 — CID 55690888

IUPAC3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCc2cccc(Cl)c2Cl)ccc1O
InChIInChI=1S/C17H17Cl2NO3/c1-23-15-9-11(5-7-14(15)21)10-20-16(22)8-6-12-3-2-4-13(18)17(12)19/h2-5,7,9,21H,6,8,10H2,1H3,(H,20,22)
InChIKeyQZWGNJMSHOJLAG-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.96
Rot. Bonds6

About 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide

3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide (PubChem CID 55690888) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
PubChem CID55690888
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCc2cccc(Cl)c2Cl)ccc1O
InChIInChI=1S/C17H17Cl2NO3/c1-23-15-9-11(5-7-14(15)21)10-20-16(22)8-6-12-3-2-4-13(18)17(12)19/h2-5,7,9,21H,6,8,10H2,1H3,(H,20,22)
InChIKeyQZWGNJMSHOJLAG-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dihydroxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 10063540
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
2-(3,4-dichlorophenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638249
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-ynamide
CID 3032050
3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 55638461

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide (CID 55690888) is 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)CCc2cccc(Cl)c2Cl)ccc1O.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
The InChIKey is QZWGNJMSHOJLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-23-15-9-11(5-7-14(15)21)10-20-16(22)8-6-12-3-2-4-13(18)17(12)19/h2-5,7,9,21H,6,8,10H2,1H3,(H,20,22).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide?
3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide has a molecular weight of 354.23 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 55690888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).