N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide

C17H16BrN3O3 — CID 135607178

IUPACN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H16BrN3O3/c1-11-4-2-3-5-14(11)17(24)19-10-16(23)21-20-9-12-8-13(18)6-7-15(12)22/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)/b20-9+
InChIKeyDIDJNBUCLZXRLG-AWQFTUOYSA-N
MW390.24 g/mol
LogP2.34
Rot. Bonds5

About N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide

N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 135607178) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
PubChem CID135607178
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H16BrN3O3/c1-11-4-2-3-5-14(11)17(24)19-10-16(23)21-20-9-12-8-13(18)6-7-15(12)22/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)/b20-9+
InChIKeyDIDJNBUCLZXRLG-AWQFTUOYSA-N
XLogP2.34
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135641592
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide
CID 135604313
N-{2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135401388
2-bromo-N-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135451270
N-(1-{N'-[(E)-(4-Hydroxyphenyl)methylidene]hydrazinecarbonyl}ethyl)benzamide
CID 135472757
2-bromo-N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135472783
N'-[(1E)-(5-bromo-2-hydroxyphenyl)methylene]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetohydrazide
CID 135497926
N-(5-{N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}pentyl)benzamide
CID 135517017
N-[(1E)-2-(5-bromo-2-hydroxyphenyl)-1-azavinyl](2-methylphenyl)carboxamide
CID 135412184
3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 137361940
N-(5-Bromosalicylideneamino)-phthalimide
CID 135448417

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide (CID 135607178) is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is DIDJNBUCLZXRLG-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-11-4-2-3-5-14(11)17(24)19-10-16(23)21-20-9-12-8-13(18)6-7-15(12)22/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)/b20-9+.
What are the key properties of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 390.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 135607178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).