3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide

C17H17Cl2NO3 — CID 44534354

IUPAC3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H17Cl2NO3/c1-23-6-2-5-20-17(22)11-3-4-16(21)15(9-11)12-7-13(18)10-14(19)8-12/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22)
InChIKeyLSZOROCZALPTHL-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.13
Rot. Bonds6

About 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide

3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide (PubChem CID 44534354) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide
PubChem CID44534354
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC Name3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H17Cl2NO3/c1-23-6-2-5-20-17(22)11-3-4-16(21)15(9-11)12-7-13(18)10-14(19)8-12/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22)
InChIKeyLSZOROCZALPTHL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide (CID 44534354) is 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide?
The InChIKey is LSZOROCZALPTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-23-6-2-5-20-17(22)11-3-4-16(21)15(9-11)12-7-13(18)10-14(19)8-12/h3-4,7-10,21H,2,5-6H2,1H3,(H,20,22).
What are the key properties of 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide?
3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide has a molecular weight of 354.23 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-hydroxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 44534354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).