[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone

C22H18BrNO3 — CID 1381574

IUPAC[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESCOc1cc(OC)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H18BrNO3/c1-26-20-13-21(27-2)19(23)12-17(20)14-24-18-10-8-16(9-11-18)22(25)15-6-4-3-5-7-15/h3-14H,1-2H3/b24-14+
InChIKeyPJGMCFGVZIELIU-ZVHZXABRSA-N
MW424.29 g/mol
LogP5.45
Rot. Bonds6

About [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone

[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 1381574) has the molecular formula C22H18BrNO3 and a molecular weight of 424.29 g/mol. Its IUPAC name is [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID1381574
Molecular FormulaC22H18BrNO3
Molecular Weight424.29 g/mol
Exact Mass423.05
IUPAC Name[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESCOc1cc(OC)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H18BrNO3/c1-26-20-13-21(27-2)19(23)12-17(20)14-24-18-10-8-16(9-11-18)22(25)15-6-4-3-5-7-15/h3-14H,1-2H3/b24-14+
InChIKeyPJGMCFGVZIELIU-ZVHZXABRSA-N
XLogP5.45
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
CID 1272173
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
1-[3-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-2-(dimethylamino)ethanone
CID 170896471
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126270849
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
1-[4-[(3,5-dibromo-2-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 5186013
3-(5-bromo-2,4-dimethoxyphenyl)prop-2-enoic acid
CID 876360
N-[4-[[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-chlorobenzamide
CID 171134368

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone (CID 1381574) is [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone is COc1cc(OC)c(/C=N/c2ccc(C(=O)c3ccccc3)cc2)cc1Br.
What is the InChIKey of [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is PJGMCFGVZIELIU-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H18BrNO3/c1-26-20-13-21(27-2)19(23)12-17(20)14-24-18-10-8-16(9-11-18)22(25)15-6-4-3-5-7-15/h3-14H,1-2H3/b24-14+.
What are the key properties of [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone?
[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 424.29 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 1381574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).