N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide

C18H19BrCl2N4 — CID 13064607

IUPACN'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(/N=C/c2ccc(N(C)C)cc2Br)cc1Cl
InChIInChI=1S/C18H19BrCl2N4/c1-24(2)11-23-18-16(20)7-13(8-17(18)21)22-10-12-5-6-14(25(3)4)9-15(12)19/h5-11H,1-4H3/b22-10+,23-11+
InChIKeyZXOKVWXZOLWUSP-CZGKVYIXSA-N
MW442.19 g/mol
LogP5.79
Rot. Bonds5

About N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide

N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide (PubChem CID 13064607) has the molecular formula C18H19BrCl2N4 and a molecular weight of 442.19 g/mol. Its IUPAC name is N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
PubChem CID13064607
Molecular FormulaC18H19BrCl2N4
Molecular Weight442.19 g/mol
Exact Mass440.02
IUPAC NameN'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(/N=C/c2ccc(N(C)C)cc2Br)cc1Cl
InChIInChI=1S/C18H19BrCl2N4/c1-24(2)11-23-18-16(20)7-13(8-17(18)21)22-10-12-5-6-14(25(3)4)9-15(12)19/h5-11H,1-4H3/b22-10+,23-11+
InChIKeyZXOKVWXZOLWUSP-CZGKVYIXSA-N
XLogP5.79
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.19
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide (CID 13064607) is N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1c(Cl)cc(/N=C/c2ccc(N(C)C)cc2Br)cc1Cl.
What is the InChIKey of N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
The InChIKey is ZXOKVWXZOLWUSP-CZGKVYIXSA-N. The full InChI is InChI=1S/C18H19BrCl2N4/c1-24(2)11-23-18-16(20)7-13(8-17(18)21)22-10-12-5-6-14(25(3)4)9-15(12)19/h5-11H,1-4H3/b22-10+,23-11+.
What are the key properties of N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide has a molecular weight of 442.19 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[2-bromo-4-(dimethylamino)phenyl]methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13064607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).