2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide

C22H17Br3N2O2 — CID 98050540

IUPAC2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C22H17Br3N2O2/c23-18-8-6-15(7-9-18)12-21(28)27-26-13-17-10-19(24)22(20(25)11-17)29-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,28)/b26-13+
InChIKeyDPROKTZUOUXHLV-LGJNPRDNSA-N
MW581.10 g/mol
LogP6.25
Rot. Bonds7

About 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 98050540) has the molecular formula C22H17Br3N2O2 and a molecular weight of 581.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID98050540
Molecular FormulaC22H17Br3N2O2
Molecular Weight581.10 g/mol
Exact Mass577.88
IUPAC Name2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1
InChIInChI=1S/C22H17Br3N2O2/c23-18-8-6-15(7-9-18)12-21(28)27-26-13-17-10-19(24)22(20(25)11-17)29-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,28)/b26-13+
InChIKeyDPROKTZUOUXHLV-LGJNPRDNSA-N
XLogP6.25
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.10
LogP ≤ 56.25
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-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126236888
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
2-(4-bromoanilino)-N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126370242
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061311
N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3927693
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
N-[(Z)-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 98050402
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126367701
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126372815
N-[(Z)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061286

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 98050540) is 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is DPROKTZUOUXHLV-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H17Br3N2O2/c23-18-8-6-15(7-9-18)12-21(28)27-26-13-17-10-19(24)22(20(25)11-17)29-14-16-4-2-1-3-5-16/h1-11,13H,12,14H2,(H,27,28)/b26-13+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 581.10 g/mol, XLogP of 6.25, 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)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 98050540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).