(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate

C19H15NO4 — CID 23995743

IUPAC(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
SMILESCc1ccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C19H15NO4/c1-13-4-10-16(11-5-13)24-19(22)14-6-8-15(9-7-14)20-18(21)17-3-2-12-23-17/h2-12H,1H3,(H,20,21)
InChIKeyKXLWMMCLCSMISN-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.06
Rot. Bonds4

About (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate

(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate (PubChem CID 23995743) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
PubChem CID23995743
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
SMILESCc1ccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C19H15NO4/c1-13-4-10-16(11-5-13)24-19(22)14-6-8-15(9-7-14)20-18(21)17-3-2-12-23-17/h2-12H,1H3,(H,20,21)
InChIKeyKXLWMMCLCSMISN-UHFFFAOYSA-N
XLogP4.06
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.06
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

(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
(4-methylphenyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 71408981
(2-methoxy-4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 51205552
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
[4-[(4-chlorobenzoyl)amino]phenyl] furan-2-carboxylate
CID 26190079
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate (CID 23995743) is (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate is Cc1ccc(OC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
The InChIKey is KXLWMMCLCSMISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-13-4-10-16(11-5-13)24-19(22)14-6-8-15(9-7-14)20-18(21)17-3-2-12-23-17/h2-12H,1H3,(H,20,21).
What are the key properties of (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate?
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate has a molecular weight of 321.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 23995743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).