[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate

C23H14ClNO6 — CID 2311799

IUPAC[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(/C=N/c2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C23H14ClNO6/c24-17-5-1-2-6-18(17)25-14-15-9-10-16(30-22(26)19-7-3-11-28-19)13-21(15)31-23(27)20-8-4-12-29-20/h1-14H/b25-14+
InChIKeyHNUJTVKVVMFJES-AFUMVMLFSA-N
MW435.82 g/mol
LogP5.72
Rot. Bonds6

About [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate

[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate (PubChem CID 2311799) has the molecular formula C23H14ClNO6 and a molecular weight of 435.82 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
PubChem CID2311799
Molecular FormulaC23H14ClNO6
Molecular Weight435.82 g/mol
Exact Mass435.05
IUPAC Name[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(/C=N/c2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C23H14ClNO6/c24-17-5-1-2-6-18(17)25-14-15-9-10-16(30-22(26)19-7-3-11-28-19)13-21(15)31-23(27)20-8-4-12-29-20/h1-14H/b25-14+
InChIKeyHNUJTVKVVMFJES-AFUMVMLFSA-N
XLogP5.72
TPSA91.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.82
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 3262955
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(4-methanehydrazonoylphenyl) furan-2-carboxylate
CID 168530481
[(2Z)-2-[(2,3-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate
CID 19260801
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
(3-formylphenyl) furan-2-carboxylate
CID 565183
(3-chloro-4-pyridinyl) furan-2-carboxylate
CID 23182895
[4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]-3-methoxyphenyl] furan-2-carboxylate
CID 56696821
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
[1,2-bis(2-chlorophenyl)-2-(furan-2-carbonyloxy)ethenyl] furan-2-carboxylate
CID 140844723
[2-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 7238005

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
The IUPAC name of [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate (CID 2311799) is [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate.
What is the SMILES notation for [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
The canonical SMILES for [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate is O=C(Oc1ccc(/C=N/c2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1.
What is the InChIKey of [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
The InChIKey is HNUJTVKVVMFJES-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H14ClNO6/c24-17-5-1-2-6-18(17)25-14-15-9-10-16(30-22(26)19-7-3-11-28-19)13-21(15)31-23(27)20-8-4-12-29-20/h1-14H/b25-14+.
What are the key properties of [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate?
[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate has a molecular weight of 435.82 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate is sourced from PubChem (CID 2311799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).