N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide

C14H10BrN3O5 — CID 137170315

IUPACN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10BrN3O5/c15-11-5-8(1-3-13(11)20)7-16-17-14(21)10-6-9(18(22)23)2-4-12(10)19/h1-7,19-20H,(H,17,21)/b16-7-
InChIKeyJBVAPNJDPVDUDH-APSNUPSMSA-N
MW380.15 g/mol
LogP2.53
Rot. Bonds4

About N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide

N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide (PubChem CID 137170315) has the molecular formula C14H10BrN3O5 and a molecular weight of 380.15 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
PubChem CID137170315
Molecular FormulaC14H10BrN3O5
Molecular Weight380.15 g/mol
Exact Mass378.98
IUPAC NameN-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C14H10BrN3O5/c15-11-5-8(1-3-13(11)20)7-16-17-14(21)10-6-9(18(22)23)2-4-12(10)19/h1-7,19-20H,(H,17,21)/b16-7-
InChIKeyJBVAPNJDPVDUDH-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_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)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136664184
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136844887
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 137021200
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 96892341
3,5-dibromo-2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 5331629
N-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 3367862
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 126061280
2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 6265393

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide (CID 137170315) is N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is O=C(N/N=C\c1ccc(O)c(Br)c1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
The InChIKey is JBVAPNJDPVDUDH-APSNUPSMSA-N. The full InChI is InChI=1S/C14H10BrN3O5/c15-11-5-8(1-3-13(11)20)7-16-17-14(21)10-6-9(18(22)23)2-4-12(10)19/h1-7,19-20H,(H,17,21)/b16-7-.
What are the key properties of N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide?
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-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)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 137170315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).