2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H12BrN3O3 — CID 135699493

IUPAC2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C\c1cc(Br)c(O)cc1O
InChIInChI=1S/C14H12BrN3O3/c15-10-5-8(12(19)6-13(10)20)7-17-18-14(21)9-3-1-2-4-11(9)16/h1-7,19-20H,16H2,(H,18,21)/b17-7-
InChIKeyHQRCCFMUADYGBH-IDUWFGFVSA-N
MW350.17 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135699493) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135699493
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C\c1cc(Br)c(O)cc1O
InChIInChI=1S/C14H12BrN3O3/c15-10-5-8(12(19)6-13(10)20)7-17-18-14(21)9-3-1-2-4-11(9)16/h1-7,19-20H,16H2,(H,18,21)/b17-7-
InChIKeyHQRCCFMUADYGBH-IDUWFGFVSA-N
XLogP2.21
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 4616734
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(E)-(2-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135883082
2-amino-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 87421764
2-amino-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 3395739
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 719568
2-amino-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135770382
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
2-amino-N-(ethylideneamino)benzamide
CID 171131868
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137122752

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135699493) is 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C\c1cc(Br)c(O)cc1O.
What is the InChIKey of 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is HQRCCFMUADYGBH-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c15-10-5-8(12(19)6-13(10)20)7-17-18-14(21)9-3-1-2-4-11(9)16/h1-7,19-20H,16H2,(H,18,21)/b17-7-.
What are the key properties of 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 350.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135699493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).