N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide

C18H18ClN3O4 — CID 101234458

IUPACN'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-18(2,3)21(17(24)12-8-4-6-10-14(12)19)20-16(23)13-9-5-7-11-15(13)22(25)26/h4-11H,1-3H3,(H,20,23)
InChIKeyCDQIXDQNUSOLFP-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.83
Rot. Bonds3

About N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide

N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide (PubChem CID 101234458) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide
PubChem CID101234458
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide
SMILESCC(C)(C)N(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Cl
InChIInChI=1S/C18H18ClN3O4/c1-18(2,3)21(17(24)12-8-4-6-10-14(12)19)20-16(23)13-9-5-7-11-15(13)22(25)26/h4-11H,1-3H3,(H,20,23)
InChIKeyCDQIXDQNUSOLFP-UHFFFAOYSA-N
XLogP3.83
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
CID 14626553
N-tert-butyl-N'-(2-fluorobenzoyl)-2-nitrobenzohydrazide;trihydrochloride
CID 70295139
N'-tert-butyl-2,3-dimethyl-N'-(2-nitrobenzoyl)benzohydrazide
CID 139683569
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N-tert-butyl-N'-[4-(2-methylpropyl)benzoyl]-2-nitrobenzohydrazide
CID 57243367
N-tert-butyl-N'-(5-chloro-2-nitrobenzoyl)-2-methylpyridine-3-carbohydrazide
CID 163422962
N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
CID 19367989
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N'-tert-butyl-2-nitrobenzohydrazide
CID 15617770
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide?
The IUPAC name of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide (CID 101234458) is N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide?
The canonical SMILES for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide is CC(C)(C)N(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Cl.
What is the InChIKey of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide?
The InChIKey is CDQIXDQNUSOLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-18(2,3)21(17(24)12-8-4-6-10-14(12)19)20-16(23)13-9-5-7-11-15(13)22(25)26/h4-11H,1-3H3,(H,20,23).
What are the key properties of N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide?
N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide has a molecular weight of 375.81 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(2-chlorobenzoyl)-2-nitrobenzohydrazide is sourced from PubChem (CID 101234458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).