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

C30H23BrN2O2 — CID 19061642

IUPAC2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C30H23BrN2O2/c31-25-15-12-21(13-16-25)18-30(34)33-32-19-28-27-11-4-2-7-23(27)14-17-29(28)35-20-24-9-5-8-22-6-1-3-10-26(22)24/h1-17,19H,18,20H2,(H,33,34)/b32-19+
InChIKeyTXDYSYMJELNLMF-BIZUNTBRSA-N
MW523.43 g/mol
LogP7.03
Rot. Bonds7

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

2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide (PubChem CID 19061642) has the molecular formula C30H23BrN2O2 and a molecular weight of 523.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
PubChem CID19061642
Molecular FormulaC30H23BrN2O2
Molecular Weight523.43 g/mol
Exact Mass522.09
IUPAC Name2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C30H23BrN2O2/c31-25-15-12-21(13-16-25)18-30(34)33-32-19-28-27-11-4-2-7-23(27)14-17-29(28)35-20-24-9-5-8-22-6-1-3-10-26(22)24/h1-17,19H,18,20H2,(H,33,34)/b32-19+
InChIKeyTXDYSYMJELNLMF-BIZUNTBRSA-N
XLogP7.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.43
LogP ≤ 57.03
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

2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061640
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
1-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-(2-methylphenyl)urea
CID 5240858
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-quinolin-8-yloxyacetamide
CID 126023683
N-[(Z)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061286
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
2-(4-bromophenyl)-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 99665428
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
N'-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3373679

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide (CID 19061642) is 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide?
The InChIKey is TXDYSYMJELNLMF-BIZUNTBRSA-N. The full InChI is InChI=1S/C30H23BrN2O2/c31-25-15-12-21(13-16-25)18-30(34)33-32-19-28-27-11-4-2-7-23(27)14-17-29(28)35-20-24-9-5-8-22-6-1-3-10-26(22)24/h1-17,19H,18,20H2,(H,33,34)/b32-19+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide has a molecular weight of 523.43 g/mol, XLogP of 7.03, 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-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide is sourced from PubChem (CID 19061642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).