3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

C18H15BrN4O4 — CID 4849183

IUPAC3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H15BrN4O4/c19-14-6-3-5-12(8-14)18(26)21-10-16(24)22-23-17(25)11-27-15-7-2-1-4-13(15)9-20/h1-8H,10-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRDLXSXQSYNCKPV-UHFFFAOYSA-N
MW431.25 g/mol
LogP1.28
Rot. Bonds6

About 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide

3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 4849183) has the molecular formula C18H15BrN4O4 and a molecular weight of 431.25 g/mol. Its IUPAC name is 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
PubChem CID4849183
Molecular FormulaC18H15BrN4O4
Molecular Weight431.25 g/mol
Exact Mass430.03
IUPAC Name3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C18H15BrN4O4/c19-14-6-3-5-12(8-14)18(26)21-10-16(24)22-23-17(25)11-27-15-7-2-1-4-13(15)9-20/h1-8H,10-11H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyRDLXSXQSYNCKPV-UHFFFAOYSA-N
XLogP1.28
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4788595
5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 4846467
N-[3-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4846808
4-bromo-N-[3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 24818372
2-[2-(4-Bromobenzoyl)hydrazinyl]-2-oxoethyl N-(2-methoxybenzoyl)glycinate
CID 16274619
N-(2-(2-(2-(Allyloxy)benzylidene)hydrazino)-2-oxoethyl)-3-bromobenzamide
CID 45054655
3-Bromo-N-(2-(2-(2-ethoxybenzylidene)hydrazino)-2-oxoethyl)benzamide
CID 45054680
N-[2-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 2640746
4-bromo-N-[3-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]benzamide
CID 4820876
2-ethoxy-N-[2-[2-[2-(2-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 7601167
N-[2-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 7910739
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 8129077

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide (CID 4849183) is 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is RDLXSXQSYNCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O4/c19-14-6-3-5-12(8-14)18(26)21-10-16(24)22-23-17(25)11-27-15-7-2-1-4-13(15)9-20/h1-8H,10-11H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide?
3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 431.25 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4849183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).