2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide

C16H13N3O3 — CID 34795688

IUPAC2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2OCC(N)=O)c1
InChIInChI=1S/C16H13N3O3/c17-9-11-4-3-5-12(8-11)19-16(21)13-6-1-2-7-14(13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21)
InChIKeyYHXQXMAILHKZJR-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.67
Rot. Bonds5

About 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide

2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide (PubChem CID 34795688) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide
PubChem CID34795688
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccccc2OCC(N)=O)c1
InChIInChI=1S/C16H13N3O3/c17-9-11-4-3-5-12(8-11)19-16(21)13-6-1-2-7-14(13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21)
InChIKeyYHXQXMAILHKZJR-UHFFFAOYSA-N
XLogP1.67
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)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-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26727992
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
N-(3-cyanophenyl)-2-hydrazinylbenzamide
CID 62248854
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272266
N-(3-carbamoylphenyl)-2-ethoxybenzamide
CID 25049798
N-(3-cyanophenyl)-2-methoxypyridine-3-carboxamide
CID 55023858
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802580
2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide (CID 34795688) is 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide is N#Cc1cccc(NC(=O)c2ccccc2OCC(N)=O)c1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide?
The InChIKey is YHXQXMAILHKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-9-11-4-3-5-12(8-11)19-16(21)13-6-1-2-7-14(13)22-10-15(18)20/h1-8H,10H2,(H2,18,20)(H,19,21).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide?
2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide has a molecular weight of 295.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-(3-cyanophenyl)benzamide is sourced from PubChem (CID 34795688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).