N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide

C22H18Br2N2O2 — CID 3927693

IUPACN-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C22H18Br2N2O2/c23-19-12-18(14-25-26-21(27)11-16-7-3-1-4-8-16)22(20(24)13-19)28-15-17-9-5-2-6-10-17/h1-10,12-14H,11,15H2,(H,26,27)
InChIKeyYAMWLADZXGRWKF-UHFFFAOYSA-N
MW502.21 g/mol
LogP5.48
Rot. Bonds7

About N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide

N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 3927693) has the molecular formula C22H18Br2N2O2 and a molecular weight of 502.21 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
PubChem CID3927693
Molecular FormulaC22H18Br2N2O2
Molecular Weight502.21 g/mol
Exact Mass499.97
IUPAC NameN-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C22H18Br2N2O2/c23-19-12-18(14-25-26-21(27)11-16-7-3-1-4-8-16)22(20(24)13-19)28-15-17-9-5-2-6-10-17/h1-10,12-14H,11,15H2,(H,26,27)
InChIKeyYAMWLADZXGRWKF-UHFFFAOYSA-N
XLogP5.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 55.48
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-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126367701
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367316
2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 98050540
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657611
N-[(E)-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126334236
2-(4-bromophenyl)-N-[(Z)-(3,5-diiodo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19061261
(1R,6S,7S)-N-[(Z)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98078736
2-[2,4-dibromo-6-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6300600
N-[(Z)-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126041307
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
N,N'-bis[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6263316
N,N'-bis[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]nonanediamide
CID 51062342

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide (CID 3927693) is N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1.
What is the InChIKey of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is YAMWLADZXGRWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2O2/c23-19-12-18(14-25-26-21(27)11-16-7-3-1-4-8-16)22(20(24)13-19)28-15-17-9-5-2-6-10-17/h1-10,12-14H,11,15H2,(H,26,27).
What are the key properties of N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide?
N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 502.21 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 3927693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).