2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide

C19H15Br2N3O3 — CID 137240672

IUPAC2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide
SMILESNN(C(=O)C/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1
InChIInChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-10-16(25)24(22)14-6-5-11-3-1-2-4-12(11)7-14/h1-9,26-27H,10,22H2/b23-9+
InChIKeyGUZDPWVAINMZJO-NUGSKGIGSA-N
MW493.16 g/mol
LogP4.10
Rot. Bonds4

About 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide

2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide (PubChem CID 137240672) has the molecular formula C19H15Br2N3O3 and a molecular weight of 493.16 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide.

Molecular Properties

Compound Name2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide
PubChem CID137240672
Molecular FormulaC19H15Br2N3O3
Molecular Weight493.16 g/mol
Exact Mass490.95
IUPAC Name2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide
SMILESNN(C(=O)C/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1
InChIInChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-10-16(25)24(22)14-6-5-11-3-1-2-4-12(11)7-14/h1-9,26-27H,10,22H2/b23-9+
InChIKeyGUZDPWVAINMZJO-NUGSKGIGSA-N
XLogP4.10
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.16
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,5-dibromo-2,4-dihydroxybenzylidene)-2-(naphthalen-2-ylamino)acetohydrazide
CID 135476586
CFTR Inhibitor II, GlyH-101
CID 136218970
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 1369406
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 1512765
CID 58273239
CID 58273239
(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene-[[2-[naphthalen-2-yl-[3-(trioxidanylsulfanyl)propyl]amino]acetyl]amino]-[3-(trioxidanylsulfanyl)propyl]azanium
CID 59770968
(3,5-Dibromo-2,4-dihydroxyphenyl)methylidene-[[2-[naphthalen-2-yl-[3-(trioxidanylsulfanyl)propyl]amino]acetyl]amino]-[3-(trioxidanylsulfanyl)propyl]azanium
CID 72557216
3-(3,5-Dibromo-2,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)prop-2-enehydrazide
CID 87210782
N-[(3,5-dibromo-2,4-dihydroxyphenyl)methyl]-2-(naphthalen-2-ylamino)acetohydrazide
CID 87210874
2-[2-(3,5-dibromo-2,4-dihydroxyphenyl)aziridin-1-yl]-N-naphthalen-2-yl-2-oxoacetohydrazide
CID 87274746
3-(3,5-Dibromo-2,4,6-trihydroxyphenyl)-2-(naphthalen-1-ylamino)prop-2-enehydrazide
CID 87274800

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide?
The IUPAC name of 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide (CID 137240672) is 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide.
What is the SMILES notation for 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide?
The canonical SMILES for 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide is NN(C(=O)C/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide?
The InChIKey is GUZDPWVAINMZJO-NUGSKGIGSA-N. The full InChI is InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-10-16(25)24(22)14-6-5-11-3-1-2-4-12(11)7-14/h1-9,26-27H,10,22H2/b23-9+.
What are the key properties of 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide?
2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide has a molecular weight of 493.16 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-N-naphthalen-2-ylacetohydrazide is sourced from PubChem (CID 137240672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).