5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide

C16H16ClNO3 — CID 63184777

IUPAC5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-21-15-8-7-12(17)9-13(15)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)
InChIKeyWYZNNZNRAWKHGM-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide

5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide (PubChem CID 63184777) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
PubChem CID63184777
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-21-15-8-7-12(17)9-13(15)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20)
InChIKeyWYZNNZNRAWKHGM-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide (CID 63184777) is 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide?
The InChIKey is WYZNNZNRAWKHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-21-15-8-7-12(17)9-13(15)16(20)18-14(10-19)11-5-3-2-4-6-11/h2-9,14,19H,10H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide?
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide is sourced from PubChem (CID 63184777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).