N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline

C16H15ClFN — CID 43633620

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
SMILESFc1ccccc1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClFN/c17-13-7-5-11(6-8-13)12-9-14(10-12)19-16-4-2-1-3-15(16)18/h1-8,12,14,19H,9-10H2
InChIKeyRYUVAXMDVRHTCG-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.84
Rot. Bonds3

About N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline

N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline (PubChem CID 43633620) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
PubChem CID43633620
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
SMILESFc1ccccc1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClFN/c17-13-7-5-11(6-8-13)12-9-14(10-12)19-16-4-2-1-3-15(16)18/h1-8,12,14,19H,9-10H2
InChIKeyRYUVAXMDVRHTCG-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632160
N-[3-(4-chlorophenyl)cyclobutyl]-2,4,5-trifluoroaniline
CID 63478390
4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
CID 43716640
N-[3-(4-chlorophenyl)cyclobutyl]-2-ethylsulfanylaniline
CID 63453439
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
2-bromo-N-[3-(4-chlorophenyl)cyclobutyl]-6-fluoroaniline
CID 107598312
2,6-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]aniline
CID 65470101
N-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105476083
3-N-[3-(4-chlorophenyl)cyclobutyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707963
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
2,5-dichloro-N-[3-(4-chlorophenyl)cyclobutyl]-4-methylaniline
CID 104726394
4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline (CID 43633620) is N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline is Fc1ccccc1NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline?
The InChIKey is RYUVAXMDVRHTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-7-5-11(6-8-13)12-9-14(10-12)19-16-4-2-1-3-15(16)18/h1-8,12,14,19H,9-10H2.
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline?
N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline has a molecular weight of 275.75 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline is sourced from PubChem (CID 43633620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).