N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide

C14H11BrClFN4 — CID 129204026

IUPACN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(F)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H11BrClFN4/c15-9-5-2-1-4-8(9)13(18)20-21-14(19)12-10(16)6-3-7-11(12)17/h1-7H,(H2,18,20)(H2,19,21)
InChIKeyNJLZPUVJAYGIIS-UHFFFAOYSA-N
MW369.63 g/mol
LogP3.27
Rot. Bonds3

About N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide

N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide (PubChem CID 129204026) has the molecular formula C14H11BrClFN4 and a molecular weight of 369.63 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
PubChem CID129204026
Molecular FormulaC14H11BrClFN4
Molecular Weight369.63 g/mol
Exact Mass367.98
IUPAC NameN'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(F)cccc1Cl)c1ccccc1Br
InChIInChI=1S/C14H11BrClFN4/c15-9-5-2-1-4-8(9)13(18)20-21-14(19)12-10(16)6-3-7-11(12)17/h1-7H,(H2,18,20)(H2,19,21)
InChIKeyNJLZPUVJAYGIIS-UHFFFAOYSA-N
XLogP3.27
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 53.27
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-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide (CID 129204026) is N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide is N/C(=N\N=C(/N)c1c(F)cccc1Cl)c1ccccc1Br.
What is the InChIKey of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
The InChIKey is NJLZPUVJAYGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN4/c15-9-5-2-1-4-8(9)13(18)20-21-14(19)12-10(16)6-3-7-11(12)17/h1-7H,(H2,18,20)(H2,19,21).
What are the key properties of N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide has a molecular weight of 369.63 g/mol, XLogP of 3.27, 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-bromophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 129204026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).