N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline

C14H12BrF2NO — CID 60960603

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-19-14-7-11(16)3-5-13(14)18-8-9-6-10(15)2-4-12(9)17/h2-7,18H,8H2,1H3
InChIKeyDVYKGWDWILTHGY-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.35
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline

N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline (PubChem CID 60960603) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
PubChem CID60960603
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-19-14-7-11(16)3-5-13(14)18-8-9-6-10(15)2-4-12(9)17/h2-7,18H,8H2,1H3
InChIKeyDVYKGWDWILTHGY-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
N-[(5-bromo-2-fluorophenyl)methyl]-2-propoxyaniline
CID 43682226
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
CID 43678754
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline (CID 60960603) is N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline is COc1cc(F)ccc1NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline?
The InChIKey is DVYKGWDWILTHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-19-14-7-11(16)3-5-13(14)18-8-9-6-10(15)2-4-12(9)17/h2-7,18H,8H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline?
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline has a molecular weight of 328.16 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 60960603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).