3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline

C14H11BrClF2NO — CID 43689253

IUPAC3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccc(F)cc1F
InChIInChI=1S/C14H11BrClF2NO/c1-20-14-11(15)4-9(16)5-13(14)19-7-8-2-3-10(17)6-12(8)18/h2-6,19H,7H2,1H3
InChIKeyRGRVBKWZUGOEEU-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.00
Rot. Bonds4

About 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline

3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline (PubChem CID 43689253) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
PubChem CID43689253
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline
SMILESCOc1c(Br)cc(Cl)cc1NCc1ccc(F)cc1F
InChIInChI=1S/C14H11BrClF2NO/c1-20-14-11(15)4-9(16)5-13(14)19-7-8-2-3-10(17)6-12(8)18/h2-6,19H,7H2,1H3
InChIKeyRGRVBKWZUGOEEU-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

3-bromo-5-chloro-2-ethoxy-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 63432667
3-bromo-5-chloro-2-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43782325
5-chloro-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 43775987
3-bromo-5-chloro-N-[(2,4-dichlorophenyl)methyl]-2-ethoxyaniline
CID 43690723
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
3-bromo-5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 63431488
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853
3-bromo-5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968459
3-bromo-5-chloro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 43782315
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline?
The IUPAC name of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline (CID 43689253) is 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline?
The canonical SMILES for 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline is COc1c(Br)cc(Cl)cc1NCc1ccc(F)cc1F.
What is the InChIKey of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline?
The InChIKey is RGRVBKWZUGOEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c1-20-14-11(15)4-9(16)5-13(14)19-7-8-2-3-10(17)6-12(8)18/h2-6,19H,7H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline?
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline 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 3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 43689253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).