N-(diaminomethylidene)dibenzofuran-3-carboxamide

C14H11N3O2 — CID 72734862

IUPACN-(diaminomethylidene)dibenzofuran-3-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C14H11N3O2/c15-14(16)17-13(18)8-5-6-10-9-3-1-2-4-11(9)19-12(10)7-8/h1-7H,(H4,15,16,17,18)
InChIKeyXXXKMISLCHRAID-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds1

About N-(diaminomethylidene)dibenzofuran-3-carboxamide

N-(diaminomethylidene)dibenzofuran-3-carboxamide (PubChem CID 72734862) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(diaminomethylidene)dibenzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)dibenzofuran-3-carboxamide
PubChem CID72734862
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN-(diaminomethylidene)dibenzofuran-3-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C14H11N3O2/c15-14(16)17-13(18)8-5-6-10-9-3-1-2-4-11(9)19-12(10)7-8/h1-7H,(H4,15,16,17,18)
InChIKeyXXXKMISLCHRAID-UHFFFAOYSA-N
XLogP2.00
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)dibenzofuran-3-carboxamide 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

dibenzofuran-3-carboxylate
CID 51860493
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
CID 58553394
2-(dibenzofuran-3-carbonylamino)acetic acid
CID 169199306
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
carbon dioxide;9-oxoxanthene-3-carboxylic acid
CID 158563906
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
[1]benzofuro[3,2-c]pyridine-3-carboxamide
CID 141058160
6-oxobenzo[c]chromene-3-carboxylic acid
CID 20530939
dibenzofuran-3-ylmethyl prop-2-enoate
CID 90268477
2-dibenzofuran-3-yl-2-methoxyacetamide;hydrochloride
CID 142815739
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)dibenzofuran-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)dibenzofuran-3-carboxamide (CID 72734862) is N-(diaminomethylidene)dibenzofuran-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)dibenzofuran-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)dibenzofuran-3-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-(diaminomethylidene)dibenzofuran-3-carboxamide?
The InChIKey is XXXKMISLCHRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-14(16)17-13(18)8-5-6-10-9-3-1-2-4-11(9)19-12(10)7-8/h1-7H,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)dibenzofuran-3-carboxamide?
N-(diaminomethylidene)dibenzofuran-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)dibenzofuran-3-carboxamide is sourced from PubChem (CID 72734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).