2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

C23H18N2O3 — CID 9360404

IUPAC2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C23H18N2O3/c24-15-16-6-1-2-7-18(16)19-8-3-4-9-20(19)23(26)25-17-10-11-21-22(14-17)28-13-5-12-27-21/h1-4,6-11,14H,5,12-13H2,(H,25,26)
InChIKeyLGEOXCPICWRKAO-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.64
Rot. Bonds3

About 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide (PubChem CID 9360404) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide
PubChem CID9360404
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C23H18N2O3/c24-15-16-6-1-2-7-18(16)19-8-3-4-9-20(19)23(26)25-17-10-11-21-22(14-17)28-13-5-12-27-21/h1-4,6-11,14H,5,12-13H2,(H,25,26)
InChIKeyLGEOXCPICWRKAO-UHFFFAOYSA-N
XLogP4.64
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(2-cyanophenyl)benzamide
CID 27843811
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylsulfanylbenzamide
CID 42125647
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 4826631
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydrazinylbenzamide
CID 62237289
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
2-(2-cyanoanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109270464
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-difluorobenzamide
CID 30501354
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
2-(2-cyanophenyl)-N-pyridin-3-ylbenzamide
CID 51255858
N-(1,3-benzodioxol-5-yl)-N'-(2-cyanophenyl)propanediamide
CID 108956697

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide (CID 9360404) is 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide is N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide?
The InChIKey is LGEOXCPICWRKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c24-15-16-6-1-2-7-18(16)19-8-3-4-9-20(19)23(26)25-17-10-11-21-22(14-17)28-13-5-12-27-21/h1-4,6-11,14H,5,12-13H2,(H,25,26).
What are the key properties of 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide?
2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide is sourced from PubChem (CID 9360404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).