2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline

C14H11BrClF2NO — CID 43646669

IUPAC2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
SMILESCOc1ccc(Cl)cc1CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H11BrClF2NO/c1-20-13-3-2-9(16)4-8(13)7-19-14-11(15)5-10(17)6-12(14)18/h2-6,19H,7H2,1H3
InChIKeyDOXAGKPOUMGXJR-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.00
Rot. Bonds4

About 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline

2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline (PubChem CID 43646669) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
PubChem CID43646669
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline
SMILESCOc1ccc(Cl)cc1CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C14H11BrClF2NO/c1-20-13-3-2-9(16)4-8(13)7-19-14-11(15)5-10(17)6-12(14)18/h2-6,19H,7H2,1H3
InChIKeyDOXAGKPOUMGXJR-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 43410818
2-bromo-N-[(2-chloro-4-methylphenyl)methyl]-4,6-difluoroaniline
CID 106862279
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
N-[(5-chloro-2-methoxyphenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334439
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2-bromo-6-fluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 107597883
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline (CID 43646669) is 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline is COc1ccc(Cl)cc1CNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline?
The InChIKey is DOXAGKPOUMGXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c1-20-13-3-2-9(16)4-8(13)7-19-14-11(15)5-10(17)6-12(14)18/h2-6,19H,7H2,1H3.
What are the key properties of 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline?
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline has a molecular weight of 362.60 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 43646669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).