3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide

C25H15Cl2N3O4 — CID 68861944

IUPAC3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C25H15Cl2N3O4/c26-18-6-1-14(2-7-18)20-13-34-23(22(20)15-3-8-19(27)9-4-15)25(33)30-29-24(32)16-5-10-21(31)17(11-16)12-28/h1-11,13,31H,(H,29,32)(H,30,33)
InChIKeyOYEMFBQWFCHTRT-UHFFFAOYSA-N
MW492.32 g/mol
LogP5.57
Rot. Bonds4

About 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide

3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide (PubChem CID 68861944) has the molecular formula C25H15Cl2N3O4 and a molecular weight of 492.32 g/mol. Its IUPAC name is 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
PubChem CID68861944
Molecular FormulaC25H15Cl2N3O4
Molecular Weight492.32 g/mol
Exact Mass491.04
IUPAC Name3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C25H15Cl2N3O4/c26-18-6-1-14(2-7-18)20-13-34-23(22(20)15-3-8-19(27)9-4-15)25(33)30-29-24(32)16-5-10-21(31)17(11-16)12-28/h1-11,13,31H,(H,29,32)(H,30,33)
InChIKeyOYEMFBQWFCHTRT-UHFFFAOYSA-N
XLogP5.57
TPSA115.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.32
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
The IUPAC name of 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide (CID 68861944) is 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occ(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
The InChIKey is OYEMFBQWFCHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2N3O4/c26-18-6-1-14(2-7-18)20-13-34-23(22(20)15-3-8-19(27)9-4-15)25(33)30-29-24(32)16-5-10-21(31)17(11-16)12-28/h1-11,13,31H,(H,29,32)(H,30,33).
What are the key properties of 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide?
3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide has a molecular weight of 492.32 g/mol, XLogP of 5.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-chlorophenyl)-N'-(3-cyano-4-hydroxybenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 68861944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).