N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide

C17H14BrCl2N3O2 — CID 3944050

IUPACN'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1cc(Cl)ccc1Cl)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C17H14BrCl2N3O2/c18-12-3-1-11(2-4-12)10-21-23-17(25)8-7-16(24)22-15-9-13(19)5-6-14(15)20/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)
InChIKeyKJGFUBIESCBADD-UHFFFAOYSA-N
MW443.13 g/mol
LogP4.62
Rot. Bonds6

About N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide

N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide (PubChem CID 3944050) has the molecular formula C17H14BrCl2N3O2 and a molecular weight of 443.13 g/mol. Its IUPAC name is N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide.

Molecular Properties

Compound NameN'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
PubChem CID3944050
Molecular FormulaC17H14BrCl2N3O2
Molecular Weight443.13 g/mol
Exact Mass440.96
IUPAC NameN'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1cc(Cl)ccc1Cl)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C17H14BrCl2N3O2/c18-12-3-1-11(2-4-12)10-21-23-17(25)8-7-16(24)22-15-9-13(19)5-6-14(15)20/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25)
InChIKeyKJGFUBIESCBADD-UHFFFAOYSA-N
XLogP4.62
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.13
LogP ≤ 54.62
H-Bond Donors ≤ 52
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-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
CID 6089933
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-(2-bromophenyl)-N'-[(E)-(3,4-dichlorophenyl)methylideneamino]butanediamide
CID 171980633
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]butanediamide
CID 135567726
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-(2,5-dichlorophenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3500417
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2,5-dichlorophenyl)thiourea
CID 6270607
N-(2-chlorophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanediamide
CID 136670499

Frequently Asked Questions

What is the IUPAC name of N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide?
The IUPAC name of N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide (CID 3944050) is N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide.
What is the SMILES notation for N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide?
The canonical SMILES for N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide is O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)NN=Cc1ccc(Br)cc1.
What is the InChIKey of N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide?
The InChIKey is KJGFUBIESCBADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrCl2N3O2/c18-12-3-1-11(2-4-12)10-21-23-17(25)8-7-16(24)22-15-9-13(19)5-6-14(15)20/h1-6,9-10H,7-8H2,(H,22,24)(H,23,25).
What are the key properties of N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide?
N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide has a molecular weight of 443.13 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide is sourced from PubChem (CID 3944050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).