N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide

C21H19N3O3 — CID 5434357

IUPACN-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H19N3O3/c1-14-6-3-8-17(12-14)20(25)24-23-15(2)16-7-4-9-18(13-16)22-21(26)19-10-5-11-27-19/h3-13H,1-2H3,(H,22,26)(H,24,25)/b23-15+
InChIKeyWVCSMTLPOVQQLI-HZHRSRAPSA-N
MW361.40 g/mol
LogP3.99
Rot. Bonds5

About N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide

N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 5434357) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID5434357
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H19N3O3/c1-14-6-3-8-17(12-14)20(25)24-23-15(2)16-7-4-9-18(13-16)22-21(26)19-10-5-11-27-19/h3-13H,1-2H3,(H,22,26)(H,24,25)/b23-15+
InChIKeyWVCSMTLPOVQQLI-HZHRSRAPSA-N
XLogP3.99
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-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

N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
N-[3-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 7308931
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
CID 3545367
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
CID 4999715
2-hydroxy-N-[(E)-1-[3-[(3-methylbenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 25237435
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[(Z)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6019561
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide (CID 5434357) is N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide is C/C(=N\NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is WVCSMTLPOVQQLI-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-6-3-8-17(12-14)20(25)24-23-15(2)16-7-4-9-18(13-16)22-21(26)19-10-5-11-27-19/h3-13H,1-2H3,(H,22,26)(H,24,25)/b23-15+.
What are the key properties of N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide?
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 5434357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).