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

C14H10BrClF2N4 — CID 129203778

IUPACN'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(F)cccc1Br)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClF2N4/c15-7-3-1-5-9(17)11(7)13(19)21-22-14(20)12-8(16)4-2-6-10(12)18/h1-6H,(H2,19,21)(H2,20,22)
InChIKeyZRPBUURRHWVLSJ-UHFFFAOYSA-N
MW387.62 g/mol
LogP3.41
Rot. Bonds3

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

N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide (PubChem CID 129203778) has the molecular formula C14H10BrClF2N4 and a molecular weight of 387.62 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
PubChem CID129203778
Molecular FormulaC14H10BrClF2N4
Molecular Weight387.62 g/mol
Exact Mass385.97
IUPAC NameN'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
SMILESN/C(=N\N=C(/N)c1c(F)cccc1Br)c1c(F)cccc1Cl
InChIInChI=1S/C14H10BrClF2N4/c15-7-3-1-5-9(17)11(7)13(19)21-22-14(20)12-8(16)4-2-6-10(12)18/h1-6H,(H2,19,21)(H2,20,22)
InChIKeyZRPBUURRHWVLSJ-UHFFFAOYSA-N
XLogP3.41
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 53.41
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-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide (CID 129203778) is N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide is N/C(=N\N=C(/N)c1c(F)cccc1Br)c1c(F)cccc1Cl.
What is the InChIKey of N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
The InChIKey is ZRPBUURRHWVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N4/c15-7-3-1-5-9(17)11(7)13(19)21-22-14(20)12-8(16)4-2-6-10(12)18/h1-6H,(H2,19,21)(H2,20,22).
What are the key properties of N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide?
N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide has a molecular weight of 387.62 g/mol, XLogP of 3.41, 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-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide is sourced from PubChem (CID 129203778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).