N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide

C14H10BrN3O4 — CID 137021200

IUPACN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrN3O4/c15-11-7-9(5-6-13(11)19)8-16-17-14(20)10-3-1-2-4-12(10)18(21)22/h1-8,19H,(H,17,20)/b16-8-
InChIKeyHSXXHXIMXJEXHW-PXNMLYILSA-N
MW364.16 g/mol
LogP2.83
Rot. Bonds4

About N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide

N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide (PubChem CID 137021200) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
PubChem CID137021200
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC NameN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H10BrN3O4/c15-11-7-9(5-6-13(11)19)8-16-17-14(20)10-3-1-2-4-12(10)18(21)22/h1-8,19H,(H,17,20)/b16-8-
InChIKeyHSXXHXIMXJEXHW-PXNMLYILSA-N
XLogP2.83
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.16
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135426068
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-nitrobenzamide
CID 693965
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 3472596
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 6047566
N-[(E)-(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 135606510
2-bromo-N-[(Z)-[4-(dimethylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 9016525
3-hydroxy-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 146510329

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide (CID 137021200) is N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide is O=C(N/N=C\c1ccc(O)c(Br)c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide?
The InChIKey is HSXXHXIMXJEXHW-PXNMLYILSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-11-7-9(5-6-13(11)19)8-16-17-14(20)10-3-1-2-4-12(10)18(21)22/h1-8,19H,(H,17,20)/b16-8-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide?
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide has a molecular weight of 364.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 137021200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).