4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide

C19H18N2O2 — CID 119070352

IUPAC4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide
SMILESN#Cc1cccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1
InChIInChI=1S/C19H18N2O2/c20-13-14-2-1-3-17(12-14)15-4-6-16(7-5-15)19(22)21-18-8-10-23-11-9-18/h1-7,12,18H,8-11H2,(H,21,22)
InChIKeyNPWNBOWWEFHDSB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.13
Rot. Bonds3

About 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide

4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide (PubChem CID 119070352) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide
PubChem CID119070352
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide
SMILESN#Cc1cccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1
InChIInChI=1S/C19H18N2O2/c20-13-14-2-1-3-17(12-14)15-4-6-16(7-5-15)19(22)21-18-8-10-23-11-9-18/h1-7,12,18H,8-11H2,(H,21,22)
InChIKeyNPWNBOWWEFHDSB-UHFFFAOYSA-N
XLogP3.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide (CID 119070352) is 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide is N#Cc1cccc(-c2ccc(C(=O)NC3CCOCC3)cc2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide?
The InChIKey is NPWNBOWWEFHDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-13-14-2-1-3-17(12-14)15-4-6-16(7-5-15)19(22)21-18-8-10-23-11-9-18/h1-7,12,18H,8-11H2,(H,21,22).
What are the key properties of 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide?
4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 119070352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).