N-benzyl-4-bromo-2,6-difluoroaniline

C13H10BrF2N — CID 65469115

IUPACN-benzyl-4-bromo-2,6-difluoroaniline
SMILESFc1cc(Br)cc(F)c1NCc1ccccc1
InChIInChI=1S/C13H10BrF2N/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKeyZNIACDQVRMQREK-UHFFFAOYSA-N
MW298.13 g/mol
LogP4.34
Rot. Bonds3

About N-benzyl-4-bromo-2,6-difluoroaniline

N-benzyl-4-bromo-2,6-difluoroaniline (PubChem CID 65469115) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is N-benzyl-4-bromo-2,6-difluoroaniline.

Molecular Properties

Compound NameN-benzyl-4-bromo-2,6-difluoroaniline
PubChem CID65469115
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC NameN-benzyl-4-bromo-2,6-difluoroaniline
SMILESFc1cc(Br)cc(F)c1NCc1ccccc1
InChIInChI=1S/C13H10BrF2N/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKeyZNIACDQVRMQREK-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2,6-difluoroaniline
CID 65468507
N-[(4-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879011
N-benzyl-3,5-dibromoaniline
CID 10640949
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
4-bromo-2,6-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 65468894
4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 65469563
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
4-bromo-N-[(3-chloro-4-methylphenyl)methyl]-2,6-difluoroaniline
CID 106816892
4-[(3-bromophenyl)methylamino]-3,5-difluorobenzonitrile
CID 78988328
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-2,6-difluoroaniline?
The IUPAC name of N-benzyl-4-bromo-2,6-difluoroaniline (CID 65469115) is N-benzyl-4-bromo-2,6-difluoroaniline.
What is the SMILES notation for N-benzyl-4-bromo-2,6-difluoroaniline?
The canonical SMILES for N-benzyl-4-bromo-2,6-difluoroaniline is Fc1cc(Br)cc(F)c1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-bromo-2,6-difluoroaniline?
The InChIKey is ZNIACDQVRMQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-10-6-11(15)13(12(16)7-10)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2.
What are the key properties of N-benzyl-4-bromo-2,6-difluoroaniline?
N-benzyl-4-bromo-2,6-difluoroaniline has a molecular weight of 298.13 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-2,6-difluoroaniline is sourced from PubChem (CID 65469115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).