[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate

C18H12ClNO4 — CID 26190079

IUPAC[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO4/c19-13-5-3-12(4-6-13)17(21)20-14-7-9-15(10-8-14)24-18(22)16-2-1-11-23-16/h1-11H,(H,20,21)
InChIKeyZPGKAKQTQAKOBN-UHFFFAOYSA-N
MW341.75 g/mol
LogP4.40
Rot. Bonds4

About [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate

[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate (PubChem CID 26190079) has the molecular formula C18H12ClNO4 and a molecular weight of 341.75 g/mol. Its IUPAC name is [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
PubChem CID26190079
Molecular FormulaC18H12ClNO4
Molecular Weight341.75 g/mol
Exact Mass341.05
IUPAC Name[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
SMILESO=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClNO4/c19-13-5-3-12(4-6-13)17(21)20-14-7-9-15(10-8-14)24-18(22)16-2-1-11-23-16/h1-11H,(H,20,21)
InChIKeyZPGKAKQTQAKOBN-UHFFFAOYSA-N
XLogP4.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
[4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 6155557
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
[4-[(4-chlorophenyl)carbamoyl]phenyl] 4-tert-butylbenzoate
CID 19181144
[4-[(4-chlorophenyl)carbamoyl]phenyl] thiophene-2-carboxylate
CID 19184736
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
N-[4-[[4-[(4-chlorophenyl)sulfamoyl]benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014553
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2-phenylethyl)benzoate
CID 19181459
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956
N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 56545953
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
[4-[(4-chlorophenyl)carbamoyl]phenyl] 5-bromo-1-benzofuran-2-carboxylate
CID 19225501

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate (CID 26190079) is [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate is O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate?
The InChIKey is ZPGKAKQTQAKOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO4/c19-13-5-3-12(4-6-13)17(21)20-14-7-9-15(10-8-14)24-18(22)16-2-1-11-23-16/h1-11H,(H,20,21).
What are the key properties of [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate?
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate has a molecular weight of 341.75 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate is sourced from PubChem (CID 26190079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).