2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C17H14BrN2O4- — CID 6978889

IUPAC2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N\NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O4/c18-14-7-5-12(6-8-14)9-16(21)20-19-10-13-3-1-2-4-15(13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/p-1/b19-10-
InChIKeyIQKOTPUJHLCIJE-GRSHGNNSSA-M
MW390.21 g/mol
LogP1.27
Rot. Bonds7

About 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 6978889) has the molecular formula C17H14BrN2O4- and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID6978889
Molecular FormulaC17H14BrN2O4-
Molecular Weight390.21 g/mol
Exact Mass389.01
IUPAC Name2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccccc1/C=N\NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C17H15BrN2O4/c18-14-7-5-12(6-8-14)9-16(21)20-19-10-13-3-1-2-4-15(13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/p-1/b19-10-
InChIKeyIQKOTPUJHLCIJE-GRSHGNNSSA-M
XLogP1.27
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
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

2-[2-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7341340
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
2-(4-nitrophenyl)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 71950825
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
2-[2-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989560
2-[2-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8518215
4-bromo-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126346827
N-[(2-ethoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968708
2-[2-[(E)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5344196
3-bromo-N-[2-[(2E)-2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51060854

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 6978889) is 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate is O=C([O-])COc1ccccc1/C=N\NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is IQKOTPUJHLCIJE-GRSHGNNSSA-M. The full InChI is InChI=1S/C17H15BrN2O4/c18-14-7-5-12(6-8-14)9-16(21)20-19-10-13-3-1-2-4-15(13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/p-1/b19-10-.
What are the key properties of 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 390.21 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 6978889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).