N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide

C15H12N2O4 — CID 107703130

IUPACN-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
SMILESN#CCOc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H12N2O4/c16-5-6-21-14-3-1-11(2-4-14)17-15(20)10-7-12(18)9-13(19)8-10/h1-4,7-9,18-19H,6H2,(H,17,20)
InChIKeyVZXGCPBOBVYDMB-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide

N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide (PubChem CID 107703130) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
PubChem CID107703130
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC NameN-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
SMILESN#CCOc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C15H12N2O4/c16-5-6-21-14-3-1-11(2-4-14)17-15(20)10-7-12(18)9-13(19)8-10/h1-4,7-9,18-19H,6H2,(H,17,20)
InChIKeyVZXGCPBOBVYDMB-UHFFFAOYSA-N
XLogP2.25
TPSA102.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 55372952
3-bromo-4-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103841565
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
N-[4-(cyanomethoxy)phenyl]-2-(3-hydroxyphenyl)acetamide
CID 61399410
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
N-[4-(cyanomethoxy)phenyl]-2,3-diethylquinoxaline-6-carboxamide
CID 30662859

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide (CID 107703130) is N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide is N#CCOc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide?
The InChIKey is VZXGCPBOBVYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c16-5-6-21-14-3-1-11(2-4-14)17-15(20)10-7-12(18)9-13(19)8-10/h1-4,7-9,18-19H,6H2,(H,17,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide?
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide has a molecular weight of 284.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107703130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).