3-azido-N-(3,4-dimethoxyphenyl)benzamide

C15H14N4O3 — CID 152729082

IUPAC3-azido-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(N=[N+]=[N-])c2)cc1OC
InChIInChI=1S/C15H14N4O3/c1-21-13-7-6-11(9-14(13)22-2)17-15(20)10-4-3-5-12(8-10)18-19-16/h3-9H,1-2H3,(H,17,20)
InChIKeyZXFQZJGEPKRGGN-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.90
Rot. Bonds5

About 3-azido-N-(3,4-dimethoxyphenyl)benzamide

3-azido-N-(3,4-dimethoxyphenyl)benzamide (PubChem CID 152729082) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-azido-N-(3,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-azido-N-(3,4-dimethoxyphenyl)benzamide
PubChem CID152729082
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-azido-N-(3,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(N=[N+]=[N-])c2)cc1OC
InChIInChI=1S/C15H14N4O3/c1-21-13-7-6-11(9-14(13)22-2)17-15(20)10-4-3-5-12(8-10)18-19-16/h3-9H,1-2H3,(H,17,20)
InChIKeyZXFQZJGEPKRGGN-UHFFFAOYSA-N
XLogP3.90
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-azido-N-(3,4-dimethoxyphenyl)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

3-azido-N-[3-(trifluoromethyl)phenyl]benzamide
CID 142728931
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(3,4-dimethoxyphenyl)-4-thiophen-2-ylbenzamide
CID 1483506
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434

Frequently Asked Questions

What is the IUPAC name of 3-azido-N-(3,4-dimethoxyphenyl)benzamide?
The IUPAC name of 3-azido-N-(3,4-dimethoxyphenyl)benzamide (CID 152729082) is 3-azido-N-(3,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 3-azido-N-(3,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 3-azido-N-(3,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(N=[N+]=[N-])c2)cc1OC.
What is the InChIKey of 3-azido-N-(3,4-dimethoxyphenyl)benzamide?
The InChIKey is ZXFQZJGEPKRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-13-7-6-11(9-14(13)22-2)17-15(20)10-4-3-5-12(8-10)18-19-16/h3-9H,1-2H3,(H,17,20).
What are the key properties of 3-azido-N-(3,4-dimethoxyphenyl)benzamide?
3-azido-N-(3,4-dimethoxyphenyl)benzamide has a molecular weight of 298.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-N-(3,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 152729082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).