N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide

C21H25BrN2O3 — CID 122552961

IUPACN-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide
SMILESCCc1c(OC)cccc1C(=O)N(NC(C)(C)C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C21H25BrN2O3/c1-6-16-17(11-8-12-18(16)27-5)20(26)24(23-21(2,3)4)19(25)14-9-7-10-15(22)13-14/h7-13,23H,6H2,1-5H3
InChIKeyHUKGENUQXXWHAK-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.61
Rot. Bonds5

About N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide

N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide (PubChem CID 122552961) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide
PubChem CID122552961
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide
SMILESCCc1c(OC)cccc1C(=O)N(NC(C)(C)C)C(=O)c1cccc(Br)c1
InChIInChI=1S/C21H25BrN2O3/c1-6-16-17(11-8-12-18(16)27-5)20(26)24(23-21(2,3)4)19(25)14-9-7-10-15(22)13-14/h7-13,23H,6H2,1-5H3
InChIKeyHUKGENUQXXWHAK-UHFFFAOYSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromobenzoyl)-N'-(2-cyanopropan-2-yl)-2-ethyl-3-methoxybenzohydrazide
CID 69296109
N'-tert-butyl-3-methoxy-N-(3-methylbenzoyl)-2-nitrobenzohydrazide
CID 139683583
N-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazide
CID 89457066
N'-(3,5-dimethylbenzoyl)-2-ethyl-3-methoxy-N'-(1-methoxy-2-methylpropan-2-yl)benzohydrazide
CID 59838665
2-(2-ethyl-3-methoxyphenyl)-2-oxoacetic acid
CID 67245601
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 69298525
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66764183
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
(2,6-dimethoxyphenyl) 3-bromobenzoate
CID 2552301
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66558029

Frequently Asked Questions

What is the IUPAC name of N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide?
The IUPAC name of N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide (CID 122552961) is N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide.
What is the SMILES notation for N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide?
The canonical SMILES for N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide is CCc1c(OC)cccc1C(=O)N(NC(C)(C)C)C(=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide?
The InChIKey is HUKGENUQXXWHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-6-16-17(11-8-12-18(16)27-5)20(26)24(23-21(2,3)4)19(25)14-9-7-10-15(22)13-14/h7-13,23H,6H2,1-5H3.
What are the key properties of N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide?
N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide has a molecular weight of 433.35 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromobenzoyl)-N'-tert-butyl-2-ethyl-3-methoxybenzohydrazide is sourced from PubChem (CID 122552961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).