N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide

C14H11BrCl2N4 — CID 129203901

IUPACN'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(Cl)cccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H11BrCl2N4/c15-9-5-3-7-11(17)12(9)14(19)21-20-13(18)8-4-1-2-6-10(8)16/h1-7H,(H2,18,20)(H2,19,21)
InChIKeyCHGDZVHHMPFTRM-UHFFFAOYSA-N
MW386.08 g/mol
LogP3.78
Rot. Bonds3

About N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide

N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide (PubChem CID 129203901) has the molecular formula C14H11BrCl2N4 and a molecular weight of 386.08 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
PubChem CID129203901
Molecular FormulaC14H11BrCl2N4
Molecular Weight386.08 g/mol
Exact Mass383.95
IUPAC NameN'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(Cl)cccc1Br)c1ccccc1Cl
InChIInChI=1S/C14H11BrCl2N4/c15-9-5-3-7-11(17)12(9)14(19)21-20-13(18)8-4-1-2-6-10(8)16/h1-7H,(H2,18,20)(H2,19,21)
InChIKeyCHGDZVHHMPFTRM-UHFFFAOYSA-N
XLogP3.78
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide (CID 129203901) is N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide is N/C(=N\N=C(/N)c1c(Cl)cccc1Br)c1ccccc1Cl.
What is the InChIKey of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide?
The InChIKey is CHGDZVHHMPFTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N4/c15-9-5-3-7-11(17)12(9)14(19)21-20-13(18)8-4-1-2-6-10(8)16/h1-7H,(H2,18,20)(H2,19,21).
What are the key properties of N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide?
N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide has a molecular weight of 386.08 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-bromo-6-chlorobenzenecarboximidamide is sourced from PubChem (CID 129203901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).