2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline

C16H14Br2FN — CID 43736844

IUPAC2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESFc1cccc(C2CC(Nc3cc(Br)ccc3Br)C2)c1
InChIInChI=1S/C16H14Br2FN/c17-12-4-5-15(18)16(9-12)20-14-7-11(8-14)10-2-1-3-13(19)6-10/h1-6,9,11,14,20H,7-8H2
InChIKeyNDPPNMAVLBEUPV-UHFFFAOYSA-N
MW399.10 g/mol
LogP5.71
Rot. Bonds3

About 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline

2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline (PubChem CID 43736844) has the molecular formula C16H14Br2FN and a molecular weight of 399.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
PubChem CID43736844
Molecular FormulaC16H14Br2FN
Molecular Weight399.10 g/mol
Exact Mass396.95
IUPAC Name2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
SMILESFc1cccc(C2CC(Nc3cc(Br)ccc3Br)C2)c1
InChIInChI=1S/C16H14Br2FN/c17-12-4-5-15(18)16(9-12)20-14-7-11(8-14)10-2-1-3-13(19)6-10/h1-6,9,11,14,20H,7-8H2
InChIKeyNDPPNMAVLBEUPV-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.10
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[3-(3-bromophenyl)cyclobutyl]-5-fluoroaniline
CID 107632699
2,4-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43683227
2,5-dibromo-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43736849
2-bromo-3-chloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 103478342
5-bromo-2-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635637
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
2-bromo-5-methyl-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 82761577
2,4,5-trichloro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633053
2-chloro-5-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 107527502
N-[3-(3-bromophenyl)cyclobutyl]-4-fluoroaniline
CID 43633558
3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43634997
4-bromo-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633138

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline (CID 43736844) is 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline is Fc1cccc(C2CC(Nc3cc(Br)ccc3Br)C2)c1.
What is the InChIKey of 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
The InChIKey is NDPPNMAVLBEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FN/c17-12-4-5-15(18)16(9-12)20-14-7-11(8-14)10-2-1-3-13(19)6-10/h1-6,9,11,14,20H,7-8H2.
What are the key properties of 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline?
2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline has a molecular weight of 399.10 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-(3-fluorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 43736844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).