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

C23H20Br2N2O2 — CID 126367701

IUPACN-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1
InChIInChI=1S/C23H20Br2N2O2/c1-16-7-9-17(10-8-16)11-22(28)27-26-14-19-12-20(24)13-21(25)23(19)29-15-18-5-3-2-4-6-18/h2-10,12-14H,11,15H2,1H3,(H,27,28)/b26-14+
InChIKeySZYKNPQFDSRIHS-VULFUBBASA-N
MW516.23 g/mol
LogP5.79
Rot. Bonds7

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

N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide (PubChem CID 126367701) has the molecular formula C23H20Br2N2O2 and a molecular weight of 516.23 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
PubChem CID126367701
Molecular FormulaC23H20Br2N2O2
Molecular Weight516.23 g/mol
Exact Mass513.99
IUPAC NameN-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1
InChIInChI=1S/C23H20Br2N2O2/c1-16-7-9-17(10-8-16)11-22(28)27-26-14-19-12-20(24)13-21(25)23(19)29-15-18-5-3-2-4-6-18/h2-10,12-14H,11,15H2,1H3,(H,27,28)/b26-14+
InChIKeySZYKNPQFDSRIHS-VULFUBBASA-N
XLogP5.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.23
LogP ≤ 55.79
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-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3927693
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367316
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 3558422
2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 98050540
N-[(E)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364041
N-[(E)-[3-iodo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126210731
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
N-[(E)-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126334236
N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126041307
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
(1R,6S,7S)-N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98078736

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide (CID 126367701) is N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
The InChIKey is SZYKNPQFDSRIHS-VULFUBBASA-N. The full InChI is InChI=1S/C23H20Br2N2O2/c1-16-7-9-17(10-8-16)11-22(28)27-26-14-19-12-20(24)13-21(25)23(19)29-15-18-5-3-2-4-6-18/h2-10,12-14H,11,15H2,1H3,(H,27,28)/b26-14+.
What are the key properties of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide?
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide has a molecular weight of 516.23 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 126367701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).