N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

C19H20BrN3O4 — CID 6878393

IUPACN-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-26-16-6-3-13(4-7-16)9-18(24)21-12-19(25)23-22-11-14-10-15(20)5-8-17(14)27-2/h3-8,10-11H,9,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11+
InChIKeyCVKYAKBGGJWYTR-SSDVNMTOSA-N
MW434.29 g/mol
LogP2.28
Rot. Bonds8

About N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 6878393) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID6878393
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C19H20BrN3O4/c1-26-16-6-3-13(4-7-16)9-18(24)21-12-19(25)23-22-11-14-10-15(20)5-8-17(14)27-2/h3-8,10-11H,9,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11+
InChIKeyCVKYAKBGGJWYTR-SSDVNMTOSA-N
XLogP2.28
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 6882731
CID 6882731
CID 6871725
CID 6871725
CID 6882561
CID 6882561
CID 6882727
CID 6882727
CID 9634278
CID 9634278
CID 46495375
CID 46495375
CID 6867746
CID 6867746
CID 6882275
CID 6882275
CID 7601407
CID 7601407
CID 6882556
CID 6882556
CID 24215092
CID 24215092
CID 9681873
CID 9681873

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide (CID 6878393) is N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is CVKYAKBGGJWYTR-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-26-16-6-3-13(4-7-16)9-18(24)21-12-19(25)23-22-11-14-10-15(20)5-8-17(14)27-2/h3-8,10-11H,9,12H2,1-2H3,(H,21,24)(H,23,25)/b22-11+.
What are the key properties of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 434.29 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6878393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).