2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide

C14H9Br2ClN2O3 — CID 136749231

IUPAC2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccc1Cl
InChIInChI=1S/C14H9Br2ClN2O3/c15-9-5-7(11(16)13(21)12(9)20)6-18-19-14(22)8-3-1-2-4-10(8)17/h1-6,20-21H,(H,19,22)/b18-6-
InChIKeyJZXFOIZEDUARRQ-FXBPXSCXSA-N
MW448.50 g/mol
LogP4.04
Rot. Bonds3

About 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 136749231) has the molecular formula C14H9Br2ClN2O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID136749231
Molecular FormulaC14H9Br2ClN2O3
Molecular Weight448.50 g/mol
Exact Mass445.87
IUPAC Name2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccc1Cl
InChIInChI=1S/C14H9Br2ClN2O3/c15-9-5-7(11(16)13(21)12(9)20)6-18-19-14(22)8-3-1-2-4-10(8)17/h1-6,20-21H,(H,19,22)/b18-6-
InChIKeyJZXFOIZEDUARRQ-FXBPXSCXSA-N
XLogP4.04
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136794117
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-chloro-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 137066622
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-bromo-N-[(2,3-dichlorophenyl)methylideneamino]benzamide
CID 3322799
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
N-[(Z)-(2-bromophenyl)methylideneamino]-3,5-dichloro-2-hydroxybenzamide
CID 7326637
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide (CID 136749231) is 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1cc(Br)c(O)c(O)c1Br)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is JZXFOIZEDUARRQ-FXBPXSCXSA-N. The full InChI is InChI=1S/C14H9Br2ClN2O3/c15-9-5-7(11(16)13(21)12(9)20)6-18-19-14(22)8-3-1-2-4-10(8)17/h1-6,20-21H,(H,19,22)/b18-6-.
What are the key properties of 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 448.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136749231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).