3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline

C13H9BrClF2NO — CID 107877984

IUPAC3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9BrClF2NO/c14-9-4-8(16)5-12(18)13(9)19-6-7-1-2-10(15)11(17)3-7/h1-5H,6,18H2
InChIKeyCPBGPZRMYDNIDP-UHFFFAOYSA-N
MW348.57 g/mol
LogP4.54
Rot. Bonds3

About 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline

3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline (PubChem CID 107877984) has the molecular formula C13H9BrClF2NO and a molecular weight of 348.57 g/mol. Its IUPAC name is 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline.

Molecular Properties

Compound Name3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
PubChem CID107877984
Molecular FormulaC13H9BrClF2NO
Molecular Weight348.57 g/mol
Exact Mass346.95
IUPAC Name3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9BrClF2NO/c14-9-4-8(16)5-12(18)13(9)19-6-7-1-2-10(15)11(17)3-7/h1-5H,6,18H2
InChIKeyCPBGPZRMYDNIDP-UHFFFAOYSA-N
XLogP4.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
CID 43379258
3-bromo-2-[(3,4-dimethoxyphenyl)methoxy]-5-fluoroaniline
CID 43379349
3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
1-bromo-3-(bromomethyl)-2-[(4-chloro-3-fluorophenyl)methoxy]benzene
CID 107882612
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
CID 43379358

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline?
The IUPAC name of 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline (CID 107877984) is 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline.
What is the SMILES notation for 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline?
The canonical SMILES for 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline is Nc1cc(F)cc(Br)c1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline?
The InChIKey is CPBGPZRMYDNIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF2NO/c14-9-4-8(16)5-12(18)13(9)19-6-7-1-2-10(15)11(17)3-7/h1-5H,6,18H2.
What are the key properties of 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline?
3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline has a molecular weight of 348.57 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline is sourced from PubChem (CID 107877984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).