5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C15H14ClNO3 — CID 47292027

IUPAC5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO3/c16-11-3-6-14(19)13(9-11)15(20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,18-19H,7-8H2,(H,17,20)
InChIKeyBTPXPFSWFSHYCN-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide

5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 47292027) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID47292027
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(O)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClNO3/c16-11-3-6-14(19)13(9-11)15(20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,18-19H,7-8H2,(H,17,20)
InChIKeyBTPXPFSWFSHYCN-UHFFFAOYSA-N
XLogP2.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 47292027) is 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(O)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is BTPXPFSWFSHYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-11-3-6-14(19)13(9-11)15(20)17-8-7-10-1-4-12(18)5-2-10/h1-6,9,18-19H,7-8H2,(H,17,20).
What are the key properties of 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 291.73 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 47292027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).