3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide

C18H16N2O3 — CID 95984813

IUPAC3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NC[C@@]2(O)CCOc3ccccc32)c1
InChIInChI=1S/C18H16N2O3/c19-11-13-4-3-5-14(10-13)17(21)20-12-18(22)8-9-23-16-7-2-1-6-15(16)18/h1-7,10,22H,8-9,12H2,(H,20,21)/t18-/m0/s1
InChIKeyUFMZTWJRNWMCKG-SFHVURJKSA-N
MW308.34 g/mol
LogP1.96
Rot. Bonds3

About 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide

3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide (PubChem CID 95984813) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
PubChem CID95984813
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
SMILESN#Cc1cccc(C(=O)NC[C@@]2(O)CCOc3ccccc32)c1
InChIInChI=1S/C18H16N2O3/c19-11-13-4-3-5-14(10-13)17(21)20-12-18(22)8-9-23-16-7-2-1-6-15(16)18/h1-7,10,22H,8-9,12H2,(H,20,21)/t18-/m0/s1
InChIKeyUFMZTWJRNWMCKG-SFHVURJKSA-N
XLogP1.96
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
CID 166317885

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide?
The IUPAC name of 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide (CID 95984813) is 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide?
The canonical SMILES for 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide is N#Cc1cccc(C(=O)NC[C@@]2(O)CCOc3ccccc32)c1.
What is the InChIKey of 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide?
The InChIKey is UFMZTWJRNWMCKG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N2O3/c19-11-13-4-3-5-14(10-13)17(21)20-12-18(22)8-9-23-16-7-2-1-6-15(16)18/h1-7,10,22H,8-9,12H2,(H,20,21)/t18-/m0/s1.
What are the key properties of 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide?
3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide is sourced from PubChem (CID 95984813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).