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

C15H14ClFN4 — CID 129203777

IUPACN'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/N=C(\N)c1ccccc1F
InChIInChI=1S/C15H14ClFN4/c1-9-5-4-7-11(16)13(9)15(19)21-20-14(18)10-6-2-3-8-12(10)17/h2-8H,1H3,(H2,18,20)(H2,19,21)
InChIKeyQOTDSSAGGVSQHY-UHFFFAOYSA-N
MW304.76 g/mol
LogP2.81
Rot. Bonds3

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

N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide (PubChem CID 129203777) has the molecular formula C15H14ClFN4 and a molecular weight of 304.76 g/mol. Its IUPAC name is N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide
PubChem CID129203777
Molecular FormulaC15H14ClFN4
Molecular Weight304.76 g/mol
Exact Mass304.09
IUPAC NameN'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/N=C(\N)c1ccccc1F
InChIInChI=1S/C15H14ClFN4/c1-9-5-4-7-11(16)13(9)15(19)21-20-14(18)10-6-2-3-8-12(10)17/h2-8H,1H3,(H2,18,20)(H2,19,21)
InChIKeyQOTDSSAGGVSQHY-UHFFFAOYSA-N
XLogP2.81
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 52.81
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

N-(3-Chloro-benzyl)-4-fluoro-benzamidine
CID 20706461
8-Chloro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785885
N-(3-Chloro-benzyl)-3-fluoro-benzamidine
CID 20706457
2-Chloro-6-methylbenzene-1-carboximidamide hydrochloride
CID 73553571
N-(3-Chloro-benzyl)-2-fluoro-benzamidine
CID 44375002
2-Chloro-6-methyl-benzamidine
CID 3360024
N'-[(3-chlorophenyl)methyl]-3,4-difluorobenzenecarboximidamide
CID 20706455
3-(2-Chlorophenyl)-6-(2,6-difluorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 23362752
3-chloro-4-fluoro-N'-methylbenzenecarboximidamide
CID 63181209
N'-amino-2-chloro-6-fluoro-N-methyliminobenzenecarboximidamide
CID 71095344
5-chloro-2-fluoro-N'-methylbenzenecarboximidamide
CID 116827804
N'-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-2-fluorobenzenecarboximidamide
CID 129203893

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide?
The IUPAC name of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide (CID 129203777) is N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide.
What is the SMILES notation for N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide?
The canonical SMILES for N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide is Cc1cccc(Cl)c1/C(N)=N/N=C(\N)c1ccccc1F.
What is the InChIKey of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide?
The InChIKey is QOTDSSAGGVSQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4/c1-9-5-4-7-11(16)13(9)15(19)21-20-14(18)10-6-2-3-8-12(10)17/h2-8H,1H3,(H2,18,20)(H2,19,21).
What are the key properties of N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide?
N'-[(Z)-[amino-(2-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide has a molecular weight of 304.76 g/mol, XLogP of 2.81, 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-fluorophenyl)methylidene]amino]-2-chloro-6-methylbenzenecarboximidamide is sourced from PubChem (CID 129203777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).