N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride

C19H22ClFN2O — CID 119547553

IUPACN-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cc1
InChIInChI=1S/C19H21FN2O.ClH/c20-16-4-1-3-15(13-16)19(10-2-11-19)18(23)22-12-9-14-5-7-17(21)8-6-14;/h1,3-8,13H,2,9-12,21H2,(H,22,23);1H
InChIKeyOETMLOJGESMPRS-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 119547553) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID119547553
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCl.Nc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cc1
InChIInChI=1S/C19H21FN2O.ClH/c20-16-4-1-3-15(13-16)19(10-2-11-19)18(23)22-12-9-14-5-7-17(21)8-6-14;/h1,3-8,13H,2,9-12,21H2,(H,22,23);1H
InChIKeyOETMLOJGESMPRS-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
1-(3-fluorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 34001762
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 75381149
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119548194
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride (CID 119547553) is N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride is Cl.Nc1ccc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is OETMLOJGESMPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O.ClH/c20-16-4-1-3-15(13-16)19(10-2-11-19)18(23)22-12-9-14-5-7-17(21)8-6-14;/h1,3-8,13H,2,9-12,21H2,(H,22,23);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119547553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).