2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

C26H20BrIN2O2 — CID 19061640

IUPAC2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12
InChIInChI=1S/C26H20BrIN2O2/c27-21-10-5-18(6-11-21)15-26(31)30-29-16-24-23-4-2-1-3-20(23)9-14-25(24)32-17-19-7-12-22(28)13-8-19/h1-14,16H,15,17H2,(H,30,31)/b29-16+
InChIKeyLNRPZGPAGMTOPM-MUFRIFMGSA-N
MW599.27 g/mol
LogP6.48
Rot. Bonds7

About 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 19061640) has the molecular formula C26H20BrIN2O2 and a molecular weight of 599.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
PubChem CID19061640
Molecular FormulaC26H20BrIN2O2
Molecular Weight599.27 g/mol
Exact Mass597.98
IUPAC Name2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12
InChIInChI=1S/C26H20BrIN2O2/c27-21-10-5-18(6-11-21)15-26(31)30-29-16-24-23-4-2-1-3-20(23)9-14-25(24)32-17-19-7-12-22(28)13-8-19/h1-14,16H,15,17H2,(H,30,31)/b29-16+
InChIKeyLNRPZGPAGMTOPM-MUFRIFMGSA-N
XLogP6.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.27
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
2-(4-bromoanilino)-N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126355675
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023683
1-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 5240858
N'-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3373679
2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960
N-phenyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]propanediamide
CID 3675600
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
2-(4-methoxyphenyl)-N-[(E)-(2-propoxynaphthalen-1-yl)methylideneamino]acetamide
CID 21370849

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide (CID 19061640) is 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(I)cc2)ccc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
The InChIKey is LNRPZGPAGMTOPM-MUFRIFMGSA-N. The full InChI is InChI=1S/C26H20BrIN2O2/c27-21-10-5-18(6-11-21)15-26(31)30-29-16-24-23-4-2-1-3-20(23)9-14-25(24)32-17-19-7-12-22(28)13-8-19/h1-14,16H,15,17H2,(H,30,31)/b29-16+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 599.27 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 19061640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).