N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide

C16H14BrCl2N3 — CID 13064599

IUPACN'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C16H14BrCl2N3/c1-22(2)10-21-16-14(18)7-13(8-15(16)19)20-9-11-4-3-5-12(17)6-11/h3-10H,1-2H3/b20-9+,21-10+
InChIKeyGDAXCRZZHIEFIS-VDEHPEQNSA-N
MW399.12 g/mol
LogP5.73
Rot. Bonds4

About N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide

N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide (PubChem CID 13064599) has the molecular formula C16H14BrCl2N3 and a molecular weight of 399.12 g/mol. Its IUPAC name is N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
PubChem CID13064599
Molecular FormulaC16H14BrCl2N3
Molecular Weight399.12 g/mol
Exact Mass396.97
IUPAC NameN'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(Cl)cc(/N=C/c2cccc(Br)c2)cc1Cl
InChIInChI=1S/C16H14BrCl2N3/c1-22(2)10-21-16-14(18)7-13(8-15(16)19)20-9-11-4-3-5-12(17)6-11/h3-10H,1-2H3/b20-9+,21-10+
InChIKeyGDAXCRZZHIEFIS-VDEHPEQNSA-N
XLogP5.73
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.12
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide (CID 13064599) is N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1c(Cl)cc(/N=C/c2cccc(Br)c2)cc1Cl.
What is the InChIKey of N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
The InChIKey is GDAXCRZZHIEFIS-VDEHPEQNSA-N. The full InChI is InChI=1S/C16H14BrCl2N3/c1-22(2)10-21-16-14(18)7-13(8-15(16)19)20-9-11-4-3-5-12(17)6-11/h3-10H,1-2H3/b20-9+,21-10+.
What are the key properties of N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide?
N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide has a molecular weight of 399.12 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3-bromophenyl)methylideneamino]-2,6-dichlorophenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13064599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).