N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide

C19H21ClN2O3 — CID 19368031

IUPACN-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)22(18(24)14-6-5-7-16(12-14)25-4)21-17(23)13-8-10-15(20)11-9-13/h5-12H,1-4H3,(H,21,23)
InChIKeyCWRKVTUUMXTPBI-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.93
Rot. Bonds3

About N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide

N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide (PubChem CID 19368031) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
PubChem CID19368031
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(2,3)22(18(24)14-6-5-7-16(12-14)25-4)21-17(23)13-8-10-15(20)11-9-13/h5-12H,1-4H3,(H,21,23)
InChIKeyCWRKVTUUMXTPBI-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.93
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-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide?
The IUPAC name of N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide (CID 19368031) is N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide.
What is the SMILES notation for N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide?
The canonical SMILES for N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide is COc1cccc(C(=O)N(NC(=O)c2ccc(Cl)cc2)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide?
The InChIKey is CWRKVTUUMXTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2,3)22(18(24)14-6-5-7-16(12-14)25-4)21-17(23)13-8-10-15(20)11-9-13/h5-12H,1-4H3,(H,21,23).
What are the key properties of N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide?
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide has a molecular weight of 360.84 g/mol, XLogP of 3.93, 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'-(4-chlorobenzoyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 19368031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).