N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide

C20H17N3O3 — CID 4548216

IUPACN-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H17N3O3/c1-14(22-23-19(24)15-7-3-2-4-8-15)16-9-5-10-17(13-16)21-20(25)18-11-6-12-26-18/h2-13H,1H3,(H,21,25)(H,23,24)
InChIKeySBLJJDLLWSMIBY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.69
Rot. Bonds5

About N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide

N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide (PubChem CID 4548216) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
PubChem CID4548216
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
SMILESCC(=NNC(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H17N3O3/c1-14(22-23-19(24)15-7-3-2-4-8-15)16-9-5-10-17(13-16)21-20(25)18-11-6-12-26-18/h2-13H,1H3,(H,21,25)(H,23,24)
InChIKeySBLJJDLLWSMIBY-UHFFFAOYSA-N
XLogP3.69
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.69
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-(N-benzamido-C-methylcarbonimidoyl)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-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N-[3-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-5-methylfuran-2-carboxamide
CID 7308931
N,N'-bis[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]pentanediamide
CID 3545367
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[3-[(Z)-N-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 6019561
N-[3-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]furan-2-carboxamide
CID 4999715
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 3270950
N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide (CID 4548216) is N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide is CC(=NNC(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide?
The InChIKey is SBLJJDLLWSMIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14(22-23-19(24)15-7-3-2-4-8-15)16-9-5-10-17(13-16)21-20(25)18-11-6-12-26-18/h2-13H,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide?
N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4548216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).