N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide

C15H11BrCl2N2O — CID 541228

IUPACN-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H11BrCl2N2O/c1-9(21)20-15-7-12(17)14(6-13(15)18)19-8-10-3-2-4-11(16)5-10/h2-8H,1H3,(H,20,21)/b19-8+
InChIKeyTYCCFEYNHCXSNQ-UFWORHAWSA-N
MW386.08 g/mol
LogP5.46
Rot. Bonds3

About N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide

N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide (PubChem CID 541228) has the molecular formula C15H11BrCl2N2O and a molecular weight of 386.08 g/mol. Its IUPAC name is N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide
PubChem CID541228
Molecular FormulaC15H11BrCl2N2O
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC NameN-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C15H11BrCl2N2O/c1-9(21)20-15-7-12(17)14(6-13(15)18)19-8-10-3-2-4-11(16)5-10/h2-8H,1H3,(H,20,21)/b19-8+
InChIKeyTYCCFEYNHCXSNQ-UFWORHAWSA-N
XLogP5.46
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 43690142
N-[4-[(4-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 43690208
N-[4-[(3-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 43690220
(E)-N-(4-acetamido-2-chlorophenyl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
CID 56441687
N-[4-[(4-bromo-3-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 81431960
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[4-[(2-bromo-5-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103866110
2-[2-(3-bromobenzylidene)hydrazino]-N-(3-chlorophenyl)-2-oxoacetamide
CID 5333349
4-[2-(4-bromobenzylidene)hydrazino]-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 9597298
2-[(2E)-2-(3-bromobenzylidene)hydrazino]-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 9659924
2-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 19577991
4-[[3-Bromo-4-(dimethylamino)phenyl]methylideneamino]-3,5-dichloroaniline
CID 20513013

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide?
The IUPAC name of N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide (CID 541228) is N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide?
The canonical SMILES for N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide is CC(=O)Nc1cc(Cl)c(/N=C/c2cccc(Br)c2)cc1Cl.
What is the InChIKey of N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide?
The InChIKey is TYCCFEYNHCXSNQ-UFWORHAWSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O/c1-9(21)20-15-7-12(17)14(6-13(15)18)19-8-10-3-2-4-11(16)5-10/h2-8H,1H3,(H,20,21)/b19-8+.
What are the key properties of N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide?
N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide has a molecular weight of 386.08 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromophenyl)methylideneamino]-2,5-dichlorophenyl]acetamide is sourced from PubChem (CID 541228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).