5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide

C15H11ClN2O3 — CID 43369133

IUPAC5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
SMILESN#CCOc1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H11ClN2O3/c16-10-4-5-14(19)13(8-10)15(20)18-11-2-1-3-12(9-11)21-7-6-17/h1-5,8-9,19H,7H2,(H,18,20)
InChIKeyHVWBSUWQSPSHAG-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.20
Rot. Bonds4

About 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide

5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide (PubChem CID 43369133) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
PubChem CID43369133
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
SMILESN#CCOc1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H11ClN2O3/c16-10-4-5-14(19)13(8-10)15(20)18-11-2-1-3-12(9-11)21-7-6-17/h1-5,8-9,19H,7H2,(H,18,20)
InChIKeyHVWBSUWQSPSHAG-UHFFFAOYSA-N
XLogP3.20
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 70853824
N-[3-(cyanomethoxy)phenyl]-2-hydroxy-3-methylbenzamide
CID 43369137
4-bromo-2-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43805481
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide (CID 43369133) is 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide is N#CCOc1cccc(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide?
The InChIKey is HVWBSUWQSPSHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-10-4-5-14(19)13(8-10)15(20)18-11-2-1-3-12(9-11)21-7-6-17/h1-5,8-9,19H,7H2,(H,18,20).
What are the key properties of 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide?
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide has a molecular weight of 302.72 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 43369133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).