5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide

C16H16ClNO3 — CID 155540745

IUPAC5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H16ClNO3/c1-10(11-3-6-13(21-2)7-4-11)18-16(20)14-9-12(17)5-8-15(14)19/h3-10,19H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyHYKUAYFAUNSCNP-SNVBAGLBSA-N
MW305.76 g/mol
LogP3.55
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide

5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 155540745) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID155540745
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C16H16ClNO3/c1-10(11-3-6-13(21-2)7-4-11)18-16(20)14-9-12(17)5-8-15(14)19/h3-10,19H,1-2H3,(H,18,20)/t10-/m1/s1
InChIKeyHYKUAYFAUNSCNP-SNVBAGLBSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide (CID 155540745) is 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is HYKUAYFAUNSCNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10(11-3-6-13(21-2)7-4-11)18-16(20)14-9-12(17)5-8-15(14)19/h3-10,19H,1-2H3,(H,18,20)/t10-/m1/s1.
What are the key properties of 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide?
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 305.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 155540745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).