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

C14H10BrN3O4 — CID 135420166

IUPACN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10BrN3O4/c15-12-7-9(1-6-13(12)19)8-16-17-14(20)10-2-4-11(5-3-10)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeyBMNPRQNVFCKPRZ-LZYBPNLTSA-N
MW364.16 g/mol
LogP2.83
Rot. Bonds4

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

N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 135420166) has the molecular formula C14H10BrN3O4 and a molecular weight of 364.16 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID135420166
Molecular FormulaC14H10BrN3O4
Molecular Weight364.16 g/mol
Exact Mass362.99
IUPAC NameN-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10BrN3O4/c15-12-7-9(1-6-13(12)19)8-16-17-14(20)10-2-4-11(5-3-10)18(21)22/h1-8,19H,(H,17,20)/b16-8+
InChIKeyBMNPRQNVFCKPRZ-LZYBPNLTSA-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

N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315
N-[(Z)-(3-bromo-4-hydroxy-5-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 137064524
2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(E)-(3-bromo-4-propoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506652
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(Z)-2,3-dihydro-1H-inden-5-ylmethylideneamino]-4-nitrobenzamide
CID 6152139
N-[(Z)-(4-cyanophenyl)methylideneamino]-4-nitrobenzamide
CID 5373177

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide (CID 135420166) is N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is BMNPRQNVFCKPRZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10BrN3O4/c15-12-7-9(1-6-13(12)19)8-16-17-14(20)10-2-4-11(5-3-10)18(21)22/h1-8,19H,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-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-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 135420166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).