[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate

C20H16ClN3O4 — CID 142440085

IUPAC[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccco1)c1cccc(NC(=O)c2cccc(Cl)c2OC)c1
InChIInChI=1S/C20H16ClN3O4/c1-26-17-14(7-3-8-15(17)21)20(25)24-13-6-2-5-12(11-13)18(22)28-19(23)16-9-4-10-27-16/h2-11,22-23H,1H3,(H,24,25)/b22-18-,23-19+
InChIKeySURHKQLSOAHRDK-URMAKSPSSA-N
MW397.82 g/mol
LogP4.56
Rot. Bonds5

About [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate

[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate (PubChem CID 142440085) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate.

Molecular Properties

Compound Name[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate
PubChem CID142440085
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Name[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccco1)c1cccc(NC(=O)c2cccc(Cl)c2OC)c1
InChIInChI=1S/C20H16ClN3O4/c1-26-17-14(7-3-8-15(17)21)20(25)24-13-6-2-5-12(11-13)18(22)28-19(23)16-9-4-10-27-16/h2-11,22-23H,1H3,(H,24,25)/b22-18-,23-19+
InChIKeySURHKQLSOAHRDK-URMAKSPSSA-N
XLogP4.56
TPSA108.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate?
The IUPAC name of [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate (CID 142440085) is [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate.
What is the SMILES notation for [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate?
The canonical SMILES for [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate is [H]/N=C(\O/C(=N/[H])c1ccco1)c1cccc(NC(=O)c2cccc(Cl)c2OC)c1.
What is the InChIKey of [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate?
The InChIKey is SURHKQLSOAHRDK-URMAKSPSSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-26-17-14(7-3-8-15(17)21)20(25)24-13-6-2-5-12(11-13)18(22)28-19(23)16-9-4-10-27-16/h2-11,22-23H,1H3,(H,24,25)/b22-18-,23-19+.
What are the key properties of [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate?
[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate has a molecular weight of 397.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate is sourced from PubChem (CID 142440085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).