N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide

C22H20Cl2N2O3 — CID 42610446

IUPACN'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H20Cl2N2O3/c1-22(2,3)26(21(28)15-5-4-6-17(24)13-15)25-20(27)19-12-11-18(29-19)14-7-9-16(23)10-8-14/h4-13H,1-3H3,(H,25,27)
InChIKeyZANQJSJJCWZRCZ-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.84
Rot. Bonds3

About N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide

N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide (PubChem CID 42610446) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide
PubChem CID42610446
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC NameN'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H20Cl2N2O3/c1-22(2,3)26(21(28)15-5-4-6-17(24)13-15)25-20(27)19-12-11-18(29-19)14-7-9-16(23)10-8-14/h4-13H,1-3H3,(H,25,27)
InChIKeyZANQJSJJCWZRCZ-UHFFFAOYSA-N
XLogP5.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.84
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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Related Compounds

N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N'-tert-butyl-5-(2-chlorophenyl)-N'-(4-methylbenzoyl)furan-2-carbohydrazide
CID 42610450
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
N'-tert-butyl-N'-(3-chlorobenzoyl)-4-methylthiadiazole-5-carbohydrazide
CID 44608698
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide (CID 42610446) is N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide is CC(C)(C)N(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide?
The InChIKey is ZANQJSJJCWZRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-22(2,3)26(21(28)15-5-4-6-17(24)13-15)25-20(27)19-12-11-18(29-19)14-7-9-16(23)10-8-14/h4-13H,1-3H3,(H,25,27).
What are the key properties of N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide?
N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide has a molecular weight of 431.32 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(3-chlorobenzoyl)-5-(4-chlorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 42610446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).