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

C16H16ClFN4 — CID 129203895

IUPACN'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
SMILESCc1cccc(F)c1/C(N)=N/N=C(\N)c1c(C)cccc1Cl
InChIInChI=1S/C16H16ClFN4/c1-9-5-3-7-11(17)13(9)15(19)21-22-16(20)14-10(2)6-4-8-12(14)18/h3-8H,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyZNONROUMRYBSTI-UHFFFAOYSA-N
MW318.78 g/mol
LogP3.12
Rot. Bonds3

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

N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide (PubChem CID 129203895) has the molecular formula C16H16ClFN4 and a molecular weight of 318.78 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
PubChem CID129203895
Molecular FormulaC16H16ClFN4
Molecular Weight318.78 g/mol
Exact Mass318.10
IUPAC NameN'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
SMILESCc1cccc(F)c1/C(N)=N/N=C(\N)c1c(C)cccc1Cl
InChIInChI=1S/C16H16ClFN4/c1-9-5-3-7-11(17)13(9)15(19)21-22-16(20)14-10(2)6-4-8-12(14)18/h3-8H,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyZNONROUMRYBSTI-UHFFFAOYSA-N
XLogP3.12
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 53.12
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
N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide
CID 71095344
3-(1-Aminoethyl)-5-chloro-2-(3-fluorophenyl)-6-methylbenzenecarboximidamide
CID 88585274
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide
CID 129203777
N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide
CID 129203893
N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-chloro-6-fluorobenzenecarboximidamide
CID 129204023
N'-[(Z)-[amino-(2-chloro-6-fluorophenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide
CID 129205263
(1Z)-3-[2-(1-aminoethenyl)-6-chlorophenyl]-1-(4-fluorophenyl)buta-1,3-dien-1-amine
CID 134462919
2-chloro-N'-[N'-(4-ethyl-7-fluoro-2-methyl-3,4-dihydronaphthalen-1-yl)carbamimidoyl]benzenecarboximidamide
CID 152981948
2-chloro-4-[(3-fluorophenyl)methyl]-N',5-dimethylbenzenecarboximidamide
CID 153326155

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide (CID 129203895) is N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide is Cc1cccc(F)c1/C(N)=N/N=C(\N)c1c(C)cccc1Cl.
What is the InChIKey of N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
The InChIKey is ZNONROUMRYBSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4/c1-9-5-3-7-11(17)13(9)15(19)21-22-16(20)14-10(2)6-4-8-12(14)18/h3-8H,1-2H3,(H2,19,21)(H2,20,22).
What are the key properties of N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide?
N'-[(Z)-[amino-(2-chloro-6-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide has a molecular weight of 318.78 g/mol, XLogP of 3.12, 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-methylphenyl)methylidene]amino]-2-fluoro-6-methylbenzenecarboximidamide is sourced from PubChem (CID 129203895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).