3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline

C14H12BrClFNO — CID 112652219

IUPAC3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NCc2cccc(F)c2Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-12-6-10(15)5-11(7-12)18-8-9-3-2-4-13(17)14(9)16/h2-7,18H,8H2,1H3
InChIKeyMNJJEPANCLGHPK-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.86
Rot. Bonds4

About 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline

3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline (PubChem CID 112652219) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
PubChem CID112652219
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
SMILESCOc1cc(Br)cc(NCc2cccc(F)c2Cl)c1
InChIInChI=1S/C14H12BrClFNO/c1-19-12-6-10(15)5-11(7-12)18-8-9-3-2-4-13(17)14(9)16/h2-7,18H,8H2,1H3
InChIKeyMNJJEPANCLGHPK-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

3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286
3-bromo-N-[(2-fluoro-3-nitrophenyl)methyl]-5-methoxyaniline
CID 107349380
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
CID 106863048
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
2-[2-[(3-bromo-5-methoxyanilino)methyl]phenyl]acetic acid
CID 82861170
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424
3-bromo-N-(1H-indol-7-ylmethyl)-5-methoxyaniline
CID 103876462
N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline
CID 23848155
N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
CID 112651757
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
CID 112651786
4-[(3-bromo-5-methoxyanilino)methyl]-3-chlorobenzonitrile
CID 102664943
3-bromo-N-[(3-chloro-1H-indol-2-yl)methyl]-5-methoxyaniline
CID 82860555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline?
The IUPAC name of 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline (CID 112652219) is 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline.
What is the SMILES notation for 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline?
The canonical SMILES for 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline is COc1cc(Br)cc(NCc2cccc(F)c2Cl)c1.
What is the InChIKey of 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline?
The InChIKey is MNJJEPANCLGHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-19-12-6-10(15)5-11(7-12)18-8-9-3-2-4-13(17)14(9)16/h2-7,18H,8H2,1H3.
What are the key properties of 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline?
3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline 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 3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline is sourced from PubChem (CID 112652219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).