N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide

C15H13ClF2N4 — CID 129205263

IUPACN'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
SMILESCc1cccc(F)c1/C(N)=N/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2N4/c1-8-4-2-6-10(17)12(8)14(19)21-22-15(20)13-9(16)5-3-7-11(13)18/h2-7H,1H3,(H2,19,21)(H2,20,22)
InChIKeyONSUDKIDQXALBD-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.95
Rot. Bonds3

About N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide

N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide (PubChem CID 129205263) has the molecular formula C15H13ClF2N4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
PubChem CID129205263
Molecular FormulaC15H13ClF2N4
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC NameN'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
SMILESCc1cccc(F)c1/C(N)=N/N=C(\N)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClF2N4/c1-8-4-2-6-10(17)12(8)14(19)21-22-15(20)13-9(16)5-3-7-11(13)18/h2-7H,1H3,(H2,19,21)(H2,20,22)
InChIKeyONSUDKIDQXALBD-UHFFFAOYSA-N
XLogP2.95
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.95
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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Related Compounds

8-Chloro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785885
2-Chloro-6-methylbenzene-1-carboximidamide hydrochloride
CID 73553571
2-Chloro-6-methyl-benzamidine
CID 3360024
2-Chloro-6-fluoro-benzamidine
CID 4125688
3-(2-Chlorophenyl)-6-(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 23362752
N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide
CID 71095344
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide
CID 129203777
N'-[(Z)-[amino-(2-bromo-6-fluorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
CID 129203778
3,6-Bis(2-chloro-6-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 129203876
N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide
CID 129203893
N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
CID 129203895
3-(2-Chloro-6-fluorophenyl)-6-(2-fluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 129203900

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide (CID 129205263) is N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide is Cc1cccc(F)c1/C(N)=N/N=C(\N)c1c(F)cccc1Cl.
What is the InChIKey of N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
The InChIKey is ONSUDKIDQXALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N4/c1-8-4-2-6-10(17)12(8)14(19)21-22-15(20)13-9(16)5-3-7-11(13)18/h2-7H,1H3,(H2,19,21)(H2,20,22).
What are the key properties of N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide has a molecular weight of 322.75 g/mol, XLogP of 2.95, 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-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide is sourced from PubChem (CID 129205263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).