N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C19H18N2O3 — CID 42580253

IUPACN-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C19H18N2O3/c20-12-15-4-1-2-6-18(15)21-19(22)14-7-9-16(10-8-14)24-13-17-5-3-11-23-17/h1-2,4,6-10,17H,3,5,11,13H2,(H,21,22)/t17-/m1/s1
InChIKeyCJQKZZRIKGCEPB-QGZVFWFLSA-N
MW322.36 g/mol
LogP3.37
Rot. Bonds5

About N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 42580253) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID42580253
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C19H18N2O3/c20-12-15-4-1-2-6-18(15)21-19(22)14-7-9-16(10-8-14)24-13-17-5-3-11-23-17/h1-2,4,6-10,17H,3,5,11,13H2,(H,21,22)/t17-/m1/s1
InChIKeyCJQKZZRIKGCEPB-QGZVFWFLSA-N
XLogP3.37
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
N-cyclopentyl-2-[[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzamide
CID 31287648
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
N-[4-(cyanomethyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 78811024
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 42580253) is N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is N#Cc1ccccc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is CJQKZZRIKGCEPB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-12-15-4-1-2-6-18(15)21-19(22)14-7-9-16(10-8-14)24-13-17-5-3-11-23-17/h1-2,4,6-10,17H,3,5,11,13H2,(H,21,22)/t17-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 322.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 42580253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).