N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine

C22H18BrCl2NO — CID 76671396

IUPACN-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine
SMILESCc1ccccc1C(CC(=NO)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrCl2NO/c1-14-4-2-3-5-18(14)19(15-6-8-16(23)9-7-15)13-22(26-27)20-12-17(24)10-11-21(20)25/h2-12,19,27H,13H2,1H3
InChIKeyMFYXBBJOMSUTBF-UHFFFAOYSA-N
MW463.20 g/mol
LogP7.46
Rot. Bonds5

About N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine

N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine (PubChem CID 76671396) has the molecular formula C22H18BrCl2NO and a molecular weight of 463.20 g/mol. Its IUPAC name is N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine
PubChem CID76671396
Molecular FormulaC22H18BrCl2NO
Molecular Weight463.20 g/mol
Exact Mass460.99
IUPAC NameN-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine
SMILESCc1ccccc1C(CC(=NO)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrCl2NO/c1-14-4-2-3-5-18(14)19(15-6-8-16(23)9-7-15)13-22(26-27)20-12-17(24)10-11-21(20)25/h2-12,19,27H,13H2,1H3
InChIKeyMFYXBBJOMSUTBF-UHFFFAOYSA-N
XLogP7.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.20
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridazin-4-ylpropylidene]hydroxylamine
CID 154041535
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
CID 67015511
5-[C-[(2S)-2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-methylpyrimidin-2-one
CID 173006381
(NE)-N-[(4R)-4-(4-bromophenyl)-4-(2-methylphenyl)-1-pyridin-2-ylbutan-2-ylidene]hydroxylamine
CID 58043626
N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-(oxan-4-yl)propylidene]hydroxylamine
CID 78110471
5-[(E)-C-[2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-(cyclopropylmethyl)pyridin-2-one
CID 58043283
5-[(Z)-C-[2-(4-bromophenyl)-2-(2-methylphenyl)ethyl]-N-hydroxycarbonimidoyl]-1-cyclobutylpyridin-2-one
CID 58043431
2-chloro-4-[4-[(3Z)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methyl-4-pyridinyl)propyl]phenyl]benzoic acid
CID 159290468
3-bromo-5-[(3R)-3-(4-bromophenyl)-3-(2-methylphenyl)propanoyl]-1-methylpyridin-2-one
CID 67015677
3-(2,5-dichlorophenyl)-2-(2-methylphenyl)-3-oxopropanenitrile
CID 43333938
4-[4-[(1R)-3-(2,6-dimethyl-4-pyridinyl)-3-hydroxyimino-1-(2-methylphenyl)propyl]phenyl]benzoic acid
CID 152775617

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine?
The IUPAC name of N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine (CID 76671396) is N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine.
What is the SMILES notation for N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine?
The canonical SMILES for N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine is Cc1ccccc1C(CC(=NO)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine?
The InChIKey is MFYXBBJOMSUTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrCl2NO/c1-14-4-2-3-5-18(14)19(15-6-8-16(23)9-7-15)13-22(26-27)20-12-17(24)10-11-21(20)25/h2-12,19,27H,13H2,1H3.
What are the key properties of N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine?
N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine has a molecular weight of 463.20 g/mol, XLogP of 7.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromophenyl)-1-(2,5-dichlorophenyl)-3-(2-methylphenyl)propylidene]hydroxylamine is sourced from PubChem (CID 76671396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).