2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline

C16H13BrClF2N — CID 43635249

IUPAC2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NC2CC(c3ccccc3Cl)C2)c(Br)c1
InChIInChI=1S/C16H13BrClF2N/c17-13-7-10(19)8-15(20)16(13)21-11-5-9(6-11)12-3-1-2-4-14(12)18/h1-4,7-9,11,21H,5-6H2
InChIKeyPMFFGSKNPXYIDK-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.74
Rot. Bonds3

About 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline

2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline (PubChem CID 43635249) has the molecular formula C16H13BrClF2N and a molecular weight of 372.64 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline
PubChem CID43635249
Molecular FormulaC16H13BrClF2N
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NC2CC(c3ccccc3Cl)C2)c(Br)c1
InChIInChI=1S/C16H13BrClF2N/c17-13-7-10(19)8-15(20)16(13)21-11-5-9(6-11)12-3-1-2-4-14(12)18/h1-4,7-9,11,21H,5-6H2
InChIKeyPMFFGSKNPXYIDK-UHFFFAOYSA-N
XLogP5.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4-fluoroaniline
CID 104775924
3-chloro-N-[3-(2-chlorophenyl)cyclobutyl]-5-fluoroaniline
CID 107364163
N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402
2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 63425780
2-bromo-4,6-difluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43635256
4-bromo-2,6-difluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 65469468
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43347570
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43775070
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
4-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-3-methoxyaniline
CID 82859728

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline (CID 43635249) is 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline is Fc1cc(F)c(NC2CC(c3ccccc3Cl)C2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline?
The InChIKey is PMFFGSKNPXYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClF2N/c17-13-7-10(19)8-15(20)16(13)21-11-5-9(6-11)12-3-1-2-4-14(12)18/h1-4,7-9,11,21H,5-6H2.
What are the key properties of 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline?
2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline has a molecular weight of 372.64 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-4,6-difluoroaniline is sourced from PubChem (CID 43635249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).