[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

C17H15BrClN3O7 — CID 2457418

IUPAC[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H15BrClN3O7/c1-27-11-3-2-9(19)6-10(11)16(25)22-21-14(23)8-28-15(24)7-20-17(26)12-4-5-13(18)29-12/h2-6H,7-8H2,1H3,(H,20,26)(H,21,23)(H,22,25)
InChIKeyKIQSEZQSYGOLAY-UHFFFAOYSA-N
MW488.68 g/mol
LogP1.44
Rot. Bonds7

About [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 2457418) has the molecular formula C17H15BrClN3O7 and a molecular weight of 488.68 g/mol. Its IUPAC name is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID2457418
Molecular FormulaC17H15BrClN3O7
Molecular Weight488.68 g/mol
Exact Mass486.98
IUPAC Name[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H15BrClN3O7/c1-27-11-3-2-9(19)6-10(11)16(25)22-21-14(23)8-28-15(24)7-20-17(26)12-4-5-13(18)29-12/h2-6H,7-8H2,1H3,(H,20,26)(H,21,23)(H,22,25)
InChIKeyKIQSEZQSYGOLAY-UHFFFAOYSA-N
XLogP1.44
TPSA135.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.68
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848086
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
CID 4926231
5-chloro-2-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 2634898
[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
1-[(5-bromofuran-2-carbonyl)amino]-3-(5-chloro-2-methoxyphenyl)thiourea
CID 2211471
trans-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019931
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870731
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582114
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242

Frequently Asked Questions

What is the IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 2457418) is [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is KIQSEZQSYGOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN3O7/c1-27-11-3-2-9(19)6-10(11)16(25)22-21-14(23)8-28-15(24)7-20-17(26)12-4-5-13(18)29-12/h2-6H,7-8H2,1H3,(H,20,26)(H,21,23)(H,22,25).
What are the key properties of [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate?
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 488.68 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 2457418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).