4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride

C12H17ClFN3 — CID 82253246

IUPAC4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(NC2CCCC2)c(F)c1
InChIInChI=1S/C12H16FN3.ClH/c13-10-7-8(12(14)15)5-6-11(10)16-9-3-1-2-4-9;/h5-7,9,16H,1-4H2,(H3,14,15);1H
InChIKeyXQZPKWWRJXUZEQ-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.89
Rot. Bonds3

About 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride

4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride (PubChem CID 82253246) has the molecular formula C12H17ClFN3 and a molecular weight of 257.74 g/mol. Its IUPAC name is 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
PubChem CID82253246
Molecular FormulaC12H17ClFN3
Molecular Weight257.74 g/mol
Exact Mass257.11
IUPAC Name4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(NC2CCCC2)c(F)c1
InChIInChI=1S/C12H16FN3.ClH/c13-10-7-8(12(14)15)5-6-11(10)16-9-3-1-2-4-9;/h5-7,9,16H,1-4H2,(H3,14,15);1H
InChIKeyXQZPKWWRJXUZEQ-UHFFFAOYSA-N
XLogP2.89
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
CID 114813590
4-(cyclohexylamino)benzenecarboximidamide
CID 54550444
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
3-(4-carbamimidoyl-2-fluoroanilino)propanoic acid;hydrochloride
CID 82253267
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
3-fluoro-4-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43658248
3-fluoro-4-(oxan-4-ylamino)benzenecarbothioamide
CID 43657973
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253493
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride (CID 82253246) is 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(NC2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride?
The InChIKey is XQZPKWWRJXUZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3.ClH/c13-10-7-8(12(14)15)5-6-11(10)16-9-3-1-2-4-9;/h5-7,9,16H,1-4H2,(H3,14,15);1H.
What are the key properties of 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride?
4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride has a molecular weight of 257.74 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).