5-chloro-2-fluoro-N'-methylbenzenecarboximidamide

C8H8ClFN2 — CID 116827804

IUPAC5-chloro-2-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(Cl)ccc1F
InChIInChI=1S/C8H8ClFN2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3,(H2,11,12)
InChIKeyXBFGTAHGYABEGX-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.81
Rot. Bonds1

About 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide

5-chloro-2-fluoro-N'-methylbenzenecarboximidamide (PubChem CID 116827804) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N'-methylbenzenecarboximidamide
PubChem CID116827804
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name5-chloro-2-fluoro-N'-methylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(Cl)ccc1F
InChIInChI=1S/C8H8ClFN2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3,(H2,11,12)
InChIKeyXBFGTAHGYABEGX-UHFFFAOYSA-N
XLogP1.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N'-[(3-chlorophenyl)methyl]-3-phenylprop-2-enimidamide
CID 9943369
Guanidine, (m-chlorobenzyl)-
CID 41357
(E)-N'-benzyl-3-(3-chlorophenyl)prop-2-enimidamide
CID 9878575
3,4-Dichloro-N-(3-chloro-benzyl)-benzamidine
CID 20706422
3-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706430
4-Chloro-N-(3-chloro-benzyl)-benzamidine
CID 20706433
N-(3-Chloro-benzyl)-4-fluoro-benzamidine
CID 20706461
2-[(3-Chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
CID 83034883
Guanidine, (p-chlorobenzyl)-
CID 39440
4-Chloro-N,N'-dimethylbenzene-1-carboximidamide--hydrogen chloride (1/1)
CID 3027144
N-benzyl-4-chlorobenzenecarboximidamide
CID 2806914
4-chloro-N'-cyclohexylbenzenecarboximidamide;hydrochloride
CID 2945295

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide?
The IUPAC name of 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide (CID 116827804) is 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide is C/N=C(\N)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide?
The InChIKey is XBFGTAHGYABEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3,(H2,11,12).
What are the key properties of 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide?
5-chloro-2-fluoro-N'-methylbenzenecarboximidamide has a molecular weight of 186.62 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 116827804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).