N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide

C15H18N2O3 — CID 104938860

IUPACN-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
SMILESN#CC1(NC(=O)c2cc(O)cc(O)c2)CCCCCC1
InChIInChI=1S/C15H18N2O3/c16-10-15(5-3-1-2-4-6-15)17-14(20)11-7-12(18)9-13(19)8-11/h7-9,18-19H,1-6H2,(H,17,20)
InChIKeyCQOYOXVDKCIPMR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.44
Rot. Bonds2

About N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide

N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide (PubChem CID 104938860) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
PubChem CID104938860
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
SMILESN#CC1(NC(=O)c2cc(O)cc(O)c2)CCCCCC1
InChIInChI=1S/C15H18N2O3/c16-10-15(5-3-1-2-4-6-15)17-14(20)11-7-12(18)9-13(19)8-11/h7-9,18-19H,1-6H2,(H,17,20)
InChIKeyCQOYOXVDKCIPMR-UHFFFAOYSA-N
XLogP2.44
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
N-(1-cyanocyclohexyl)-5-iodothiophene-3-carboxamide
CID 78949949
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 86917827

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide (CID 104938860) is N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide is N#CC1(NC(=O)c2cc(O)cc(O)c2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide?
The InChIKey is CQOYOXVDKCIPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-10-15(5-3-1-2-4-6-15)17-14(20)11-7-12(18)9-13(19)8-11/h7-9,18-19H,1-6H2,(H,17,20).
What are the key properties of N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide?
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide has a molecular weight of 274.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 104938860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).