N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

C20H16FN3O3 — CID 3270950

IUPACN-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCC(=NNC(=O)c1cccc(F)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16FN3O3/c1-13(23-24-19(25)15-4-2-5-16(21)12-15)14-7-9-17(10-8-14)22-20(26)18-6-3-11-27-18/h2-12H,1H3,(H,22,26)(H,24,25)
InChIKeyKAFZUXXGBPFNEN-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.83
Rot. Bonds5

About N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide

N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 3270950) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID3270950
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC NameN-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESCC(=NNC(=O)c1cccc(F)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H16FN3O3/c1-13(23-24-19(25)15-4-2-5-16(21)12-15)14-7-9-17(10-8-14)22-20(26)18-6-3-11-27-18/h2-12H,1H3,(H,22,26)(H,24,25)
InChIKeyKAFZUXXGBPFNEN-UHFFFAOYSA-N
XLogP3.83
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.83
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'}

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Related Compounds

N-[3-(N-benzamido-C-methylcarbonimidoyl)phenyl]furan-2-carboxamide
CID 4548216
N-[3-[(E)-C-methyl-N-[(3-methylbenzoyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5434357
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
3-fluoro-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4587189
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119
methyl N-[1-[3-(furan-2-carbonylamino)phenyl]ethylideneamino]carbamate
CID 3713909
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[4-[(Z)-C-methyl-N-[(2-naphthalen-1-ylacetyl)amino]carbonimidoyl]phenyl]furan-2-carboxamide
CID 5430437

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CID 3270950) is N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is CC(=NNC(=O)c1cccc(F)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is KAFZUXXGBPFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-13(23-24-19(25)15-4-2-5-16(21)12-15)14-7-9-17(10-8-14)22-20(26)18-6-3-11-27-18/h2-12H,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 3270950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).