N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide

C14H13N3O4 — CID 108517686

IUPACN'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H13N3O4/c15-10-5-3-9(4-6-10)12(18)17-14(20)13(19)16-8-11-2-1-7-21-11/h1-7H,8,15H2,(H,16,19)(H,17,18,20)
InChIKeySZKVOEDHRFRXPH-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.43
Rot. Bonds3

About N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide

N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide (PubChem CID 108517686) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide
PubChem CID108517686
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide
SMILESNc1ccc(C(=O)NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H13N3O4/c15-10-5-3-9(4-6-10)12(18)17-14(20)13(19)16-8-11-2-1-7-21-11/h1-7H,8,15H2,(H,16,19)(H,17,18,20)
InChIKeySZKVOEDHRFRXPH-UHFFFAOYSA-N
XLogP0.43
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide 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-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518379
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 5441739
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
4-(chloromethyl)-N-(furan-2-ylmethyl)benzamide
CID 43156226
N-[3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 1100468
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
4-amino-N-(furan-2-ylcarbamoyl)benzamide
CID 108868549

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide (CID 108517686) is N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide is Nc1ccc(C(=O)NC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide?
The InChIKey is SZKVOEDHRFRXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-10-5-3-9(4-6-10)12(18)17-14(20)13(19)16-8-11-2-1-7-21-11/h1-7H,8,15H2,(H,16,19)(H,17,18,20).
What are the key properties of N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide?
N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide has a molecular weight of 287.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminobenzoyl)-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 108517686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).