N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide

C23H23ClN2O3 — CID 42610450

IUPACN'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2ccc(-c3ccccc3Cl)o2)C(C)(C)C)cc1
InChIInChI=1S/C23H23ClN2O3/c1-15-9-11-16(12-10-15)22(28)26(23(2,3)4)25-21(27)20-14-13-19(29-20)17-7-5-6-8-18(17)24/h5-14H,1-4H3,(H,25,27)
InChIKeyWECUIPSUACMSTN-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.49
Rot. Bonds3

About N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide

N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide (PubChem CID 42610450) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide
PubChem CID42610450
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC NameN'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide
SMILESCc1ccc(C(=O)N(NC(=O)c2ccc(-c3ccccc3Cl)o2)C(C)(C)C)cc1
InChIInChI=1S/C23H23ClN2O3/c1-15-9-11-16(12-10-15)22(28)26(23(2,3)4)25-21(27)20-14-13-19(29-20)17-7-5-6-8-18(17)24/h5-14H,1-4H3,(H,25,27)
InChIKeyWECUIPSUACMSTN-UHFFFAOYSA-N
XLogP5.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide?
The IUPAC name of N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide (CID 42610450) is N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide?
The canonical SMILES for N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide is Cc1ccc(C(=O)N(NC(=O)c2ccc(-c3ccccc3Cl)o2)C(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide?
The InChIKey is WECUIPSUACMSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-15-9-11-16(12-10-15)22(28)26(23(2,3)4)25-21(27)20-14-13-19(29-20)17-7-5-6-8-18(17)24/h5-14H,1-4H3,(H,25,27).
What are the key properties of N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide?
N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide has a molecular weight of 410.90 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 42610450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).