N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

C25H18BrN3O5 — CID 3506189

IUPACN-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H18BrN3O5/c26-20-8-9-24(34-15-16-4-3-7-21(10-16)29(32)33)19(11-20)14-27-28-25(31)22-12-17-5-1-2-6-18(17)13-23(22)30/h1-14,30H,15H2,(H,28,31)
InChIKeyCHHJAAWQYDXLRU-UHFFFAOYSA-N
MW520.34 g/mol
LogP5.56
Rot. Bonds7

About N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide

N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 3506189) has the molecular formula C25H18BrN3O5 and a molecular weight of 520.34 g/mol. Its IUPAC name is N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
PubChem CID3506189
Molecular FormulaC25H18BrN3O5
Molecular Weight520.34 g/mol
Exact Mass519.04
IUPAC NameN-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H18BrN3O5/c26-20-8-9-24(34-15-16-4-3-7-21(10-16)29(32)33)19(11-20)14-27-28-25(31)22-12-17-5-1-2-6-18(17)13-23(22)30/h1-14,30H,15H2,(H,28,31)
InChIKeyCHHJAAWQYDXLRU-UHFFFAOYSA-N
XLogP5.56
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.34
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', '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

3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5137761
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
N-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3886425
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5029518
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(E)-[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide
CID 126409424
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide;3-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 172917708
N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376563
N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1497044
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide (CID 3506189) is N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is O=C(NN=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is CHHJAAWQYDXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3O5/c26-20-8-9-24(34-15-16-4-3-7-21(10-16)29(32)33)19(11-20)14-27-28-25(31)22-12-17-5-1-2-6-18(17)13-23(22)30/h1-14,30H,15H2,(H,28,31).
What are the key properties of N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide?
N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 520.34 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 3506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).