5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide

C16H16ClNO4 — CID 18128122

IUPAC5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1OC
InChIInChI=1S/C16H16ClNO4/c1-3-22-14-7-5-11(9-15(14)21-2)18-16(20)12-8-10(17)4-6-13(12)19/h4-9,19H,3H2,1-2H3,(H,18,20)
InChIKeyFIDVYOUHRICKRE-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.71
Rot. Bonds5

About 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide

5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide (PubChem CID 18128122) has the molecular formula C16H16ClNO4 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
PubChem CID18128122
Molecular FormulaC16H16ClNO4
Molecular Weight321.76 g/mol
Exact Mass321.08
IUPAC Name5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1OC
InChIInChI=1S/C16H16ClNO4/c1-3-22-14-7-5-11(9-15(14)21-2)18-16(20)12-8-10(17)4-6-13(12)19/h4-9,19H,3H2,1-2H3,(H,18,20)
InChIKeyFIDVYOUHRICKRE-UHFFFAOYSA-N
XLogP3.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-nitrobenzamide
CID 8530810
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
dimethyl 5-[(5-chloro-2-ethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17296382
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide (CID 18128122) is 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide is CCOc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1OC.
What is the InChIKey of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide?
The InChIKey is FIDVYOUHRICKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4/c1-3-22-14-7-5-11(9-15(14)21-2)18-16(20)12-8-10(17)4-6-13(12)19/h4-9,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide?
5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide has a molecular weight of 321.76 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethoxy-3-methoxyphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 18128122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).