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

C16H15ClFN — CID 43633459

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
SMILESFc1cccc(NC2CC(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C16H15ClFN/c17-13-4-1-3-11(7-13)12-8-16(9-12)19-15-6-2-5-14(18)10-15/h1-7,10,12,16,19H,8-9H2
InChIKeyJBZKEXLJBYYGPX-UHFFFAOYSA-N
MW275.75 g/mol
LogP4.84
Rot. Bonds3

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

N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline (PubChem CID 43633459) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
PubChem CID43633459
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
SMILESFc1cccc(NC2CC(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C16H15ClFN/c17-13-4-1-3-11(7-13)12-8-16(9-12)19-15-6-2-5-14(18)10-15/h1-7,10,12,16,19H,8-9H2
InChIKeyJBZKEXLJBYYGPX-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

3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635064
3,5-dichloro-N-[3-(3-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 107572788
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
5-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-fluorobenzonitrile
CID 63478325
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
3-fluoro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43633451
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
N-[3-(3-chlorophenyl)cyclobutyl]-3-nitroaniline
CID 43718066
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline (CID 43633459) is N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline is Fc1cccc(NC2CC(c3cccc(Cl)c3)C2)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline?
The InChIKey is JBZKEXLJBYYGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-13-4-1-3-11(7-13)12-8-16(9-12)19-15-6-2-5-14(18)10-15/h1-7,10,12,16,19H,8-9H2.
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline?
N-[3-(3-chlorophenyl)cyclobutyl]-3-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-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline is sourced from PubChem (CID 43633459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).