[4-(furan-2-carbonylamino)phenyl] acetate

C13H11NO4 — CID 1262434

IUPAC[4-(furan-2-carbonylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C13H11NO4/c1-9(15)18-11-6-4-10(5-7-11)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16)
InChIKeyJRFKMIDGOYXQKC-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.46
Rot. Bonds3

About [4-(furan-2-carbonylamino)phenyl] acetate

[4-(furan-2-carbonylamino)phenyl] acetate (PubChem CID 1262434) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is [4-(furan-2-carbonylamino)phenyl] acetate.

Molecular Properties

Compound Name[4-(furan-2-carbonylamino)phenyl] acetate
PubChem CID1262434
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name[4-(furan-2-carbonylamino)phenyl] acetate
SMILESCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C13H11NO4/c1-9(15)18-11-6-4-10(5-7-11)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16)
InChIKeyJRFKMIDGOYXQKC-UHFFFAOYSA-N
XLogP2.46
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(furan-2-carbonylamino)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
(3,4-dimethylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 761866
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
(4-benzamidophenyl) acetate
CID 34734144
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[(4-propan-2-yloxyphenyl)carbamoyl]furan-2-carboxamide
CID 110866473
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonylamino)phenyl] acetate?
The IUPAC name of [4-(furan-2-carbonylamino)phenyl] acetate (CID 1262434) is [4-(furan-2-carbonylamino)phenyl] acetate.
What is the SMILES notation for [4-(furan-2-carbonylamino)phenyl] acetate?
The canonical SMILES for [4-(furan-2-carbonylamino)phenyl] acetate is CC(=O)Oc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [4-(furan-2-carbonylamino)phenyl] acetate?
The InChIKey is JRFKMIDGOYXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-9(15)18-11-6-4-10(5-7-11)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16).
What are the key properties of [4-(furan-2-carbonylamino)phenyl] acetate?
[4-(furan-2-carbonylamino)phenyl] acetate has a molecular weight of 245.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonylamino)phenyl] acetate is sourced from PubChem (CID 1262434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).