N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline

C14H12BrF2NO — CID 43380671

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NCc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C14H12BrF2NO/c1-19-14-5-3-11(7-13(14)17)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3
InChIKeyRFVFLZSUAHNGNL-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.35
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline (PubChem CID 43380671) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
PubChem CID43380671
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NCc2cc(Br)ccc2F)cc1F
InChIInChI=1S/C14H12BrF2NO/c1-19-14-5-3-11(7-13(14)17)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3
InChIKeyRFVFLZSUAHNGNL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43775873
N-[(5-bromo-2-methoxyphenyl)methyl]-3,4,5-trifluoroaniline
CID 62810813
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
5-[(5-bromo-2-methoxyphenyl)methylamino]-2-fluorobenzamide
CID 43705314
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 106263207
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
4-bromo-3-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 65437481
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline (CID 43380671) is N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline is COc1ccc(NCc2cc(Br)ccc2F)cc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline?
The InChIKey is RFVFLZSUAHNGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-19-14-5-3-11(7-13(14)17)18-8-9-6-10(15)2-4-12(9)16/h2-7,18H,8H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline?
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-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]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 43380671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).