3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide

C14H12ClNO3 — CID 107680944

IUPAC3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide
SMILESCc1cc(O)cc(Oc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-8-4-10(17)7-11(5-8)19-13-3-2-9(14(16)18)6-12(13)15/h2-7,17H,1H3,(H2,16,18)
InChIKeyQRPKCXVCNGVQRU-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.25
Rot. Bonds3

About 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide

3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide (PubChem CID 107680944) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide.

Molecular Properties

Compound Name3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide
PubChem CID107680944
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide
SMILESCc1cc(O)cc(Oc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C14H12ClNO3/c1-8-4-10(17)7-11(5-8)19-13-3-2-9(14(16)18)6-12(13)15/h2-7,17H,1H3,(H2,16,18)
InChIKeyQRPKCXVCNGVQRU-UHFFFAOYSA-N
XLogP3.25
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide?
The IUPAC name of 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide (CID 107680944) is 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide.
What is the SMILES notation for 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide?
The canonical SMILES for 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide is Cc1cc(O)cc(Oc2ccc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide?
The InChIKey is QRPKCXVCNGVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-4-10(17)7-11(5-8)19-13-3-2-9(14(16)18)6-12(13)15/h2-7,17H,1H3,(H2,16,18).
What are the key properties of 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide?
3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide has a molecular weight of 277.71 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-hydroxy-5-methylphenoxy)benzamide is sourced from PubChem (CID 107680944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).