(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine

C9H11ClFN5 — CID 20543679

IUPAC(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine
SMILESC/N=C(N)/N=C(\N)Nc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN5/c1-14-8(12)16-9(13)15-7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H5,12,13,14,15,16)
InChIKeyLSCIRUGYFCZFKN-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.15
Rot. Bonds1

About (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine

(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine (PubChem CID 20543679) has the molecular formula C9H11ClFN5 and a molecular weight of 243.67 g/mol. Its IUPAC name is (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine.

Molecular Properties

Compound Name(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine
PubChem CID20543679
Molecular FormulaC9H11ClFN5
Molecular Weight243.67 g/mol
Exact Mass243.07
IUPAC Name(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine
SMILESC/N=C(N)/N=C(\N)Nc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFN5/c1-14-8(12)16-9(13)15-7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H5,12,13,14,15,16)
InChIKeyLSCIRUGYFCZFKN-UHFFFAOYSA-N
XLogP1.15
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
CID 20543814
1-(2-chloro-6-fluorophenyl)-3-(diaminomethylidene)urea
CID 3043990
1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylguanidine
CID 62379408
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
1-amino-3-(2-chloro-6-fluorophenyl)-2-cyclopropylguanidine
CID 116516518
3-(2-chloro-6-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114899076
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
(2R)-2-amino-N-(2-chloro-6-fluorophenyl)pentanamide
CID 107570747
N-(2-chloro-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107036138
2-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)acetamide
CID 65498988

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine?
The IUPAC name of (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine (CID 20543679) is (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine.
What is the SMILES notation for (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine?
The canonical SMILES for (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine is C/N=C(N)/N=C(\N)Nc1c(F)cccc1Cl.
What is the InChIKey of (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine?
The InChIKey is LSCIRUGYFCZFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN5/c1-14-8(12)16-9(13)15-7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H5,12,13,14,15,16).
What are the key properties of (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine?
(1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine has a molecular weight of 243.67 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[amino-(2-chloro-6-fluoroanilino)methylidene]-2-methylguanidine is sourced from PubChem (CID 20543679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).