1-(2-chloro-5-fluorophenyl)-2-ethylguanidine

C9H11ClFN3 — CID 107531361

IUPAC1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(F)ccc1Cl
InChIInChI=1S/C9H11ClFN3/c1-2-13-9(12)14-8-5-6(11)3-4-7(8)10/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKeyNLDPKNKUCCODKF-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine

1-(2-chloro-5-fluorophenyl)-2-ethylguanidine (PubChem CID 107531361) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
PubChem CID107531361
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(F)ccc1Cl
InChIInChI=1S/C9H11ClFN3/c1-2-13-9(12)14-8-5-6(11)3-4-7(8)10/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKeyNLDPKNKUCCODKF-UHFFFAOYSA-N
XLogP2.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.23
H-Bond Donors ≤ 52
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

1-[2-chloro-5-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 62379619
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
CID 107531363
(3E)-3-amino-N-(2-chloro-5-fluorophenyl)-3-hydroxyiminopropanamide
CID 107530741
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
1-(2,5-difluorophenyl)-2-methylguanidine
CID 62379981
2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
CID 62811946
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399
1-(2-chloro-5-methoxyphenyl)-2-propylguanidine
CID 62379099
1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
CID 62381438

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine (CID 107531361) is 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine is CC/N=C(\N)Nc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine?
The InChIKey is NLDPKNKUCCODKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-2-13-9(12)14-8-5-6(11)3-4-7(8)10/h3-5H,2H2,1H3,(H3,12,13,14).
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine?
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine has a molecular weight of 215.66 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-ethylguanidine is sourced from PubChem (CID 107531361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).