4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide

C17H18ClNO3 — CID 111335197

IUPAC4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-17(21,12-6-4-3-5-7-12)11-19-16(20)14-9-8-13(18)10-15(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyHBWQDDOAJAYNEV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.99
Rot. Bonds5

About 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide

4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide (PubChem CID 111335197) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
PubChem CID111335197
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C17H18ClNO3/c1-17(21,12-6-4-3-5-7-12)11-19-16(20)14-9-8-13(18)10-15(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20)
InChIKeyHBWQDDOAJAYNEV-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide (CID 111335197) is 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide?
The InChIKey is HBWQDDOAJAYNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-17(21,12-6-4-3-5-7-12)11-19-16(20)14-9-8-13(18)10-15(14)22-2/h3-10,21H,11H2,1-2H3,(H,19,20).
What are the key properties of 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide?
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide is sourced from PubChem (CID 111335197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).