N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide

C25H18Br2N2O2 — CID 126193121

IUPACN-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H18Br2N2O2/c26-22-10-9-21(24(27)14-22)16-31-23-11-5-17(6-12-23)15-28-29-25(30)20-8-7-18-3-1-2-4-19(18)13-20/h1-15H,16H2,(H,29,30)/b28-15-
InChIKeyIXUHFKLQEBBPND-MBTHVWNTSA-N
MW538.24 g/mol
LogP6.71
Rot. Bonds6

About N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide

N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 126193121) has the molecular formula C25H18Br2N2O2 and a molecular weight of 538.24 g/mol. Its IUPAC name is N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
PubChem CID126193121
Molecular FormulaC25H18Br2N2O2
Molecular Weight538.24 g/mol
Exact Mass535.97
IUPAC NameN-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H18Br2N2O2/c26-22-10-9-21(24(27)14-22)16-31-23-11-5-17(6-12-23)15-28-29-25(30)20-8-7-18-3-1-2-4-19(18)13-20/h1-15H,16H2,(H,29,30)/b28-15-
InChIKeyIXUHFKLQEBBPND-MBTHVWNTSA-N
XLogP6.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.24
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192852
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 126193653
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 126191522
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847989
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
CID 126193582
1-(4-chlorophenyl)-3-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]urea
CID 126192638
3-bromo-4-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5196695
N-(benzylideneamino)-4-[(4-bromophenyl)methoxy]benzamide
CID 171131767
1-[(E)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-3-(2,3-dimethylphenyl)urea
CID 126194341

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide (CID 126193121) is N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is IXUHFKLQEBBPND-MBTHVWNTSA-N. The full InChI is InChI=1S/C25H18Br2N2O2/c26-22-10-9-21(24(27)14-22)16-31-23-11-5-17(6-12-23)15-28-29-25(30)20-8-7-18-3-1-2-4-19(18)13-20/h1-15H,16H2,(H,29,30)/b28-15-.
What are the key properties of N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 538.24 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 126193121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).