sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate

C15H11N2NaO4 — CID 174816659

IUPACsodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate
SMILESNC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1.O=C[O-].[Na+]
InChIInChI=1S/C14H10N2O2.CH2O2.Na/c15-13(17)9-1-3-10(4-2-9)14(18)16-11-5-6-12(16)8-7-11;2-1-3;/h1-8H,(H2,15,17);1H,(H,2,3);/q;;+1/p-1
InChIKeyGLLGFJCMAGMGNF-UHFFFAOYSA-M
MW306.25 g/mol
LogP-2.76
Rot. Bonds2

About sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate

sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate (PubChem CID 174816659) has the molecular formula C15H11N2NaO4 and a molecular weight of 306.25 g/mol. Its IUPAC name is sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate.

Molecular Properties

Compound Namesodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate
PubChem CID174816659
Molecular FormulaC15H11N2NaO4
Molecular Weight306.25 g/mol
Exact Mass306.06
IUPAC Namesodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate
SMILESNC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1.O=C[O-].[Na+]
InChIInChI=1S/C14H10N2O2.CH2O2.Na/c15-13(17)9-1-3-10(4-2-9)14(18)16-11-5-6-12(16)8-7-11;2-1-3;/h1-8H,(H2,15,17);1H,(H,2,3);/q;;+1/p-1
InChIKeyGLLGFJCMAGMGNF-UHFFFAOYSA-M
XLogP-2.76
TPSA105.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 5-2.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate 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

4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;N-methylmethanamine
CID 174521796
4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;hexane-1,6-diamine
CID 174496397
4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;2,4,4-trimethylhexan-1-amine
CID 174319016
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
4-formylbenzamide;methanamine
CID 144619239
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
4-carbamoylbenzenediazonium chloride
CID 12689632
4-carbamoylbenzenesulfonyl fluoride
CID 54079384
4-aminobenzamide;methanol
CID 144801245

Frequently Asked Questions

What is the IUPAC name of sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate?
The IUPAC name of sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate (CID 174816659) is sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate.
What is the SMILES notation for sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate?
The canonical SMILES for sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate is NC(=O)c1ccc(C(=O)n2c3ccc2cc3)cc1.O=C[O-].[Na+].
What is the InChIKey of sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate?
The InChIKey is GLLGFJCMAGMGNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O2.CH2O2.Na/c15-13(17)9-1-3-10(4-2-9)14(18)16-11-5-6-12(16)8-7-11;2-1-3;/h1-8H,(H2,15,17);1H,(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate?
sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate has a molecular weight of 306.25 g/mol, XLogP of -2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(7-azabicyclo[2.2.1]hepta-1,3,5-triene-7-carbonyl)benzamide;formate is sourced from PubChem (CID 174816659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).