N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

C24H17ClN2O4 — CID 68863912

IUPACN'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C24H17ClN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
InChIKeyIRTXEYKCKYWOBN-UHFFFAOYSA-N
MW432.86 g/mol
LogP5.05
Rot. Bonds4

About N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide

N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (PubChem CID 68863912) has the molecular formula C24H17ClN2O4 and a molecular weight of 432.86 g/mol. Its IUPAC name is N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
PubChem CID68863912
Molecular FormulaC24H17ClN2O4
Molecular Weight432.86 g/mol
Exact Mass432.09
IUPAC NameN'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C24H17ClN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30)
InChIKeyIRTXEYKCKYWOBN-UHFFFAOYSA-N
XLogP5.05
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.86
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide (CID 68863912) is N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
The InChIKey is IRTXEYKCKYWOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O4/c25-19-13-17(11-12-20(19)28)23(29)26-27-24(30)22-21(16-9-5-2-6-10-16)18(14-31-22)15-7-3-1-4-8-15/h1-14,28H,(H,26,29)(H,27,30).
What are the key properties of N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide?
N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide has a molecular weight of 432.86 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-hydroxybenzoyl)-3,4-diphenylfuran-2-carbohydrazide is sourced from PubChem (CID 68863912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).