N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide

C20H21Cl2N3O3 — CID 19752989

IUPACN-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide
SMILESCCN(C(=O)c1ccc(N=O)cc1)N(C(=O)c1ccc(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C20H21Cl2N3O3/c1-5-24(18(26)13-6-9-15(23-28)10-7-13)25(20(2,3)4)19(27)16-11-8-14(21)12-17(16)22/h6-12H,5H2,1-4H3
InChIKeyFXORWCDBROMOBZ-UHFFFAOYSA-N
MW422.31 g/mol
LogP5.71
Rot. Bonds4

About N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide

N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide (PubChem CID 19752989) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide
PubChem CID19752989
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC NameN-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide
SMILESCCN(C(=O)c1ccc(N=O)cc1)N(C(=O)c1ccc(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C20H21Cl2N3O3/c1-5-24(18(26)13-6-9-15(23-28)10-7-13)25(20(2,3)4)19(27)16-11-8-14(21)12-17(16)22/h6-12H,5H2,1-4H3
InChIKeyFXORWCDBROMOBZ-UHFFFAOYSA-N
XLogP5.71
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.31
LogP ≤ 55.71
H-Bond Donors ≤ 50
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-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide?
The IUPAC name of N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide (CID 19752989) is N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide.
What is the SMILES notation for N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide?
The canonical SMILES for N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide is CCN(C(=O)c1ccc(N=O)cc1)N(C(=O)c1ccc(Cl)cc1Cl)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide?
The InChIKey is FXORWCDBROMOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-5-24(18(26)13-6-9-15(23-28)10-7-13)25(20(2,3)4)19(27)16-11-8-14(21)12-17(16)22/h6-12H,5H2,1-4H3.
What are the key properties of N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide?
N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide has a molecular weight of 422.31 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-dichloro-N'-ethyl-N'-(4-nitrosobenzoyl)benzohydrazide is sourced from PubChem (CID 19752989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).