N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide

C28H20Br2Cl2N2O2 — CID 126396544

IUPACN-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20Br2Cl2N2O2/c29-23-13-18(14-24(30)27(23)36-17-21-11-12-22(31)15-25(21)32)16-33-34-28(35)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,26H,17H2,(H,34,35)/b33-16+
InChIKeyMPNDTHQYRYZLHW-MHDJOFBISA-N
MW647.19 g/mol
LogP8.38
Rot. Bonds8

About N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide

N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide (PubChem CID 126396544) has the molecular formula C28H20Br2Cl2N2O2 and a molecular weight of 647.19 g/mol. Its IUPAC name is N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
PubChem CID126396544
Molecular FormulaC28H20Br2Cl2N2O2
Molecular Weight647.19 g/mol
Exact Mass643.93
IUPAC NameN-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H20Br2Cl2N2O2/c29-23-13-18(14-24(30)27(23)36-17-21-11-12-22(31)15-25(21)32)16-33-34-28(35)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,26H,17H2,(H,34,35)/b33-16+
InChIKeyMPNDTHQYRYZLHW-MHDJOFBISA-N
XLogP8.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.19
LogP ≤ 58.38
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

(2S)-N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126273340
1-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3257710
N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126197958
N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21380003
(2S)-N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126152687
(2S)-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126145973
N-[(E)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-methylbenzamide
CID 19060863
2-bromo-N-[(E)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245248
5-chloro-N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126024892
N-[(E)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 126396553
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2,2-diphenylacetamide
CID 126396799
N-[(E)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide
CID 126397284

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide (CID 126396544) is N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
The InChIKey is MPNDTHQYRYZLHW-MHDJOFBISA-N. The full InChI is InChI=1S/C28H20Br2Cl2N2O2/c29-23-13-18(14-24(30)27(23)36-17-21-11-12-22(31)15-25(21)32)16-33-34-28(35)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,26H,17H2,(H,34,35)/b33-16+.
What are the key properties of N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide?
N-[(E)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide has a molecular weight of 647.19 g/mol, XLogP of 8.38, 8 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-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 126396544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).