N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide

C20H22BrN3O4 — CID 17353041

IUPACN-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C20H22BrN3O4/c1-2-28-17-9-8-15(21)12-16(17)20(27)24-23-19(26)11-10-18(25)22-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyRFTCPDRLAGLAHL-UHFFFAOYSA-N
MW448.32 g/mol
LogP2.71
Rot. Bonds8

About N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 17353041) has the molecular formula C20H22BrN3O4 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID17353041
Molecular FormulaC20H22BrN3O4
Molecular Weight448.32 g/mol
Exact Mass447.08
IUPAC NameN-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C20H22BrN3O4/c1-2-28-17-9-8-15(21)12-16(17)20(27)24-23-19(26)11-10-18(25)22-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyRFTCPDRLAGLAHL-UHFFFAOYSA-N
XLogP2.71
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17353072
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17353033
5-amino-N-benzyl-2-ethoxybenzamide
CID 141452184
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17350268
N-benzyl-4-[2-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 2215513

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide (CID 17353041) is N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide is CCOc1ccc(Br)cc1C(=O)NNC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is RFTCPDRLAGLAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O4/c1-2-28-17-9-8-15(21)12-16(17)20(27)24-23-19(26)11-10-18(25)22-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 448.32 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 17353041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).