N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide

C14H10BrN3O5 — CID 137122752

IUPACN-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)cc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrN3O5/c15-11-5-9(12(19)6-13(11)20)7-16-17-14(21)8-2-1-3-10(4-8)18(22)23/h1-7,19-20H,(H,17,21)/b16-7-
InChIKeyGTKVSQWVJFFMEE-APSNUPSMSA-N
MW380.15 g/mol
LogP2.53
Rot. Bonds4

About N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide

N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 137122752) has the molecular formula C14H10BrN3O5 and a molecular weight of 380.15 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID137122752
Molecular FormulaC14H10BrN3O5
Molecular Weight380.15 g/mol
Exact Mass378.98
IUPAC NameN-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)cc1O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10BrN3O5/c15-11-5-9(12(19)6-13(11)20)7-16-17-14(21)8-2-1-3-10(4-8)18(22)23/h1-7,19-20H,(H,17,21)/b16-7-
InChIKeyGTKVSQWVJFFMEE-APSNUPSMSA-N
XLogP2.53
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide 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-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137058209
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[[4-bromo-5-(dimethylamino)furan-2-yl]methylideneamino]-3-nitrobenzamide
CID 91991410
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136712211
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
3-nitro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 774214
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137118711

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide (CID 137122752) is N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1cc(Br)c(O)cc1O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is GTKVSQWVJFFMEE-APSNUPSMSA-N. The full InChI is InChI=1S/C14H10BrN3O5/c15-11-5-9(12(19)6-13(11)20)7-16-17-14(21)8-2-1-3-10(4-8)18(22)23/h1-7,19-20H,(H,17,21)/b16-7-.
What are the key properties of N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide?
N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 380.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 137122752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).