5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline

C16H14Cl2FN — CID 43635416

IUPAC5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H14Cl2FN/c17-12-3-1-2-10(6-12)11-7-14(8-11)20-16-9-13(18)4-5-15(16)19/h1-6,9,11,14,20H,7-8H2
InChIKeyFWACAHXRPWPTRS-UHFFFAOYSA-N
MW310.20 g/mol
LogP5.49
Rot. Bonds3

About 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline

5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline (PubChem CID 43635416) has the molecular formula C16H14Cl2FN and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
PubChem CID43635416
Molecular FormulaC16H14Cl2FN
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C16H14Cl2FN/c17-12-3-1-2-10(6-12)11-7-14(8-11)20-16-9-13(18)4-5-15(16)19/h1-6,9,11,14,20H,7-8H2
InChIKeyFWACAHXRPWPTRS-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.20
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138
3,5-dichloro-N-[3-(3-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 107572788
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364256
2-fluoro-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43634988
N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
CID 43632805
5-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-fluorobenzonitrile
CID 63478325
2,6-dibromo-N-[3-(3-chlorophenyl)cyclobutyl]aniline
CID 107597455
N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633620
4-[[3-(3-chlorophenyl)cyclobutyl]amino]phenol
CID 43742874
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635064

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline (CID 43635416) is 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline is Fc1ccc(Cl)cc1NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline?
The InChIKey is FWACAHXRPWPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN/c17-12-3-1-2-10(6-12)11-7-14(8-11)20-16-9-13(18)4-5-15(16)19/h1-6,9,11,14,20H,7-8H2.
What are the key properties of 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline?
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline has a molecular weight of 310.20 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline is sourced from PubChem (CID 43635416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).