4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline

C16H14ClF2N — CID 43716640

IUPAC4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
SMILESFc1ccc(C2CC(Nc3ccc(Cl)cc3F)C2)cc1
InChIInChI=1S/C16H14ClF2N/c17-12-3-6-16(15(19)9-12)20-14-7-11(8-14)10-1-4-13(18)5-2-10/h1-6,9,11,14,20H,7-8H2
InChIKeyVEKXOELATLBCPF-UHFFFAOYSA-N
MW293.74 g/mol
LogP4.98
Rot. Bonds3

About 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline

4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline (PubChem CID 43716640) has the molecular formula C16H14ClF2N and a molecular weight of 293.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
PubChem CID43716640
Molecular FormulaC16H14ClF2N
Molecular Weight293.74 g/mol
Exact Mass293.08
IUPAC Name4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline
SMILESFc1ccc(C2CC(Nc3ccc(Cl)cc3F)C2)cc1
InChIInChI=1S/C16H14ClF2N/c17-12-3-6-16(15(19)9-12)20-14-7-11(8-14)10-1-4-13(18)5-2-10/h1-6,9,11,14,20H,7-8H2
InChIKeyVEKXOELATLBCPF-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-chlorophenyl)cyclobutyl]-2,4,5-trifluoroaniline
CID 63478390
N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633620
4-chloro-2-fluoro-N-(3-methylcyclobutyl)aniline
CID 103561326
4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138
N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline
CID 43632560
5-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43633732
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
4-chloro-N-cyclohexyl-2-fluoroaniline
CID 43716554
2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632803
N-[3-(4-chlorophenyl)cyclobutyl]-4-iodo-2-methylaniline
CID 43717158
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62537092

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline (CID 43716640) is 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline is Fc1ccc(C2CC(Nc3ccc(Cl)cc3F)C2)cc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline?
The InChIKey is VEKXOELATLBCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2N/c17-12-3-6-16(15(19)9-12)20-14-7-11(8-14)10-1-4-13(18)5-2-10/h1-6,9,11,14,20H,7-8H2.
What are the key properties of 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline?
4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline has a molecular weight of 293.74 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[3-(4-fluorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 43716640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).