3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

C19H18N2O3 — CID 42950380

IUPAC3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C19H18N2O3/c20-12-14-4-1-5-15(10-14)19(22)21-16-6-2-7-17(11-16)24-13-18-8-3-9-23-18/h1-2,4-7,10-11,18H,3,8-9,13H2,(H,21,22)
InChIKeyAZEJNXLJJWCERO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.37
Rot. Bonds5

About 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide

3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 42950380) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID42950380
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C19H18N2O3/c20-12-14-4-1-5-15(10-14)19(22)21-16-6-2-7-17(11-16)24-13-18-8-3-9-23-18/h1-2,4-7,10-11,18H,3,8-9,13H2,(H,21,22)
InChIKeyAZEJNXLJJWCERO-UHFFFAOYSA-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-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 42950380) is 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is N#Cc1cccc(C(=O)Nc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is AZEJNXLJJWCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-12-14-4-1-5-15(10-14)19(22)21-16-6-2-7-17(11-16)24-13-18-8-3-9-23-18/h1-2,4-7,10-11,18H,3,8-9,13H2,(H,21,22).
What are the key properties of 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide?
3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]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 3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 42950380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).