N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide

C19H21FN2 — CID 3043197

IUPACN'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide
SMILESFc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21FN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)
InChIKeyXATAUFWLRNLNNE-UHFFFAOYSA-N
MW296.39 g/mol
LogP5.02
Rot. Bonds3

About N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide

N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide (PubChem CID 3043197) has the molecular formula C19H21FN2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide
PubChem CID3043197
Molecular FormulaC19H21FN2
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC NameN'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide
SMILESFc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C19H21FN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22)
InChIKeyXATAUFWLRNLNNE-UHFFFAOYSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.39
LogP ≤ 55.02
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'}

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Related Compounds

Antazoline
CID 2200
Antazoline Hydrochloride
CID 17275
1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
CID 10247719
2-Phenylquinazoline-4(1H)-thione
CID 838258
Liroldine
CID 65887
N,N'-Diphenylbenzamidine
CID 75709
4-[5-(4-Carbamimidoylanilino)pentylamino]benzenecarboximidamide;hydrochloride
CID 44573482
N,N'-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pentane-1,5-diamine;dihydrochloride
CID 90664399
T0501-0864
CID 732118
3,4-dihydro-2(1H)-quinolinylidene(phenyl)amine
CID 780385
(+)-(6S)-3,4,5,6-Tetrahydro-2-phenyl-6-((4-phenyl-1-piperazinyl)methyl)pyrimidine
CID 10359539
5-Fluoro-2-(4-fluoro-phenyl)-1,2-dihydro-quinazolin-4-ylamine
CID 11139807

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide?
The IUPAC name of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide (CID 3043197) is N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide?
The canonical SMILES for N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide is Fc1ccc(N/C(=N/C2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide?
The InChIKey is XATAUFWLRNLNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2/c20-16-11-13-18(14-12-16)22-19(15-7-3-1-4-8-15)21-17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2,(H,21,22).
What are the key properties of N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide?
N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide has a molecular weight of 296.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(4-fluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 3043197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).