N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C26H20BrIN2O3 — CID 126376563

IUPACN-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C26H20BrIN2O3/c1-32-25-14-19-5-3-2-4-18(19)13-23(25)26(31)30-29-15-20-12-21(27)8-11-24(20)33-16-17-6-9-22(28)10-7-17/h2-15H,16H2,1H3,(H,30,31)/b29-15-
InChIKeyCBKOLMIKJLFQGJ-FDVSRXAVSA-N
MW615.27 g/mol
LogP6.56
Rot. Bonds7

About N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 126376563) has the molecular formula C26H20BrIN2O3 and a molecular weight of 615.27 g/mol. Its IUPAC name is N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID126376563
Molecular FormulaC26H20BrIN2O3
Molecular Weight615.27 g/mol
Exact Mass613.97
IUPAC NameN-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C26H20BrIN2O3/c1-32-25-14-19-5-3-2-4-18(19)13-23(25)26(31)30-29-15-20-12-21(27)8-11-24(20)33-16-17-6-9-22(28)10-7-17/h2-15H,16H2,1H3,(H,30,31)/b29-15-
InChIKeyCBKOLMIKJLFQGJ-FDVSRXAVSA-N
XLogP6.56
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.27
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
N-[(Z)-[2-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378322
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
ethyl 2-[4-bromo-2-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4690505
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376797
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168382
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043
N-[(E)-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126328922
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137166744
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
N-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3886425

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 126376563) is N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1.
What is the InChIKey of N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is CBKOLMIKJLFQGJ-FDVSRXAVSA-N. The full InChI is InChI=1S/C26H20BrIN2O3/c1-32-25-14-19-5-3-2-4-18(19)13-23(25)26(31)30-29-15-20-12-21(27)8-11-24(20)33-16-17-6-9-22(28)10-7-17/h2-15H,16H2,1H3,(H,30,31)/b29-15-.
What are the key properties of N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 615.27 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 126376563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).