4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline

C14H12BrClFNO — CID 104815657

IUPAC4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrClFNO/c1-19-14-4-2-3-11(16)10(14)8-18-13-6-5-9(15)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyGSSMDUWQZMMMFD-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

About 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline

4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline (PubChem CID 104815657) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
PubChem CID104815657
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1cccc(Cl)c1CNc1ccc(Br)cc1F
InChIInChI=1S/C14H12BrClFNO/c1-19-14-4-2-3-11(16)10(14)8-18-13-6-5-9(15)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyGSSMDUWQZMMMFD-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678
1-N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103291747
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxyaniline
CID 43233998
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-nitroaniline
CID 104815786
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline (CID 104815657) is 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline is COc1cccc(Cl)c1CNc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline?
The InChIKey is GSSMDUWQZMMMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-14-4-2-3-11(16)10(14)8-18-13-6-5-9(15)7-12(13)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline?
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline has a molecular weight of 344.61 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 104815657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).