[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate

C17H13NO5 — CID 1234570

IUPAC[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
SMILESCc1cc(OC(=O)c2ccco2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C17H13NO5/c1-11-10-12(23-17(20)15-5-3-9-22-15)6-7-13(11)18-16(19)14-4-2-8-21-14/h2-10H,1H3,(H,18,19)
InChIKeyLVAPEYFJLZOKGL-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.65
Rot. Bonds4

About [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate

[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate (PubChem CID 1234570) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
PubChem CID1234570
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate
SMILESCc1cc(OC(=O)c2ccco2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C17H13NO5/c1-11-10-12(23-17(20)15-5-3-9-22-15)6-7-13(11)18-16(19)14-4-2-8-21-14/h2-10H,1H3,(H,18,19)
InChIKeyLVAPEYFJLZOKGL-UHFFFAOYSA-N
XLogP3.65
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
N-[2-methyl-4-(methylamino)phenyl]furan-2-carboxamide
CID 91677831
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
N-[2-methyl-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1086037
N-[4-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168518948
[4-(furan-2-carbonylamino)phenyl] acetate
CID 1262434
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-[2-methyl-4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1141339
N-[2-[(4-methoxybenzoyl)amino]-4-methylphenyl]furan-2-carboxamide
CID 25250119
N-[4-(3-chloropropanoylamino)-2-methylphenyl]furan-2-carboxamide
CID 4221258
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate?
The IUPAC name of [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate (CID 1234570) is [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate.
What is the SMILES notation for [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate?
The canonical SMILES for [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate is Cc1cc(OC(=O)c2ccco2)ccc1NC(=O)c1ccco1.
What is the InChIKey of [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate?
The InChIKey is LVAPEYFJLZOKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-11-10-12(23-17(20)15-5-3-9-22-15)6-7-13(11)18-16(19)14-4-2-8-21-14/h2-10H,1H3,(H,18,19).
What are the key properties of [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate?
[4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate has a molecular weight of 311.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonylamino)-3-methylphenyl] furan-2-carboxylate is sourced from PubChem (CID 1234570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).