4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline

C14H11Br2F2NO — CID 107610996

IUPAC4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
SMILESCOc1ccc(Br)c(CNc2cc(F)c(Br)cc2F)c1
InChIInChI=1S/C14H11Br2F2NO/c1-20-9-2-3-10(15)8(4-9)7-19-14-6-12(17)11(16)5-13(14)18/h2-6,19H,7H2,1H3
InChIKeyGUZFHSJZWTYNSF-UHFFFAOYSA-N
MW407.05 g/mol
LogP5.11
Rot. Bonds4

About 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline

4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline (PubChem CID 107610996) has the molecular formula C14H11Br2F2NO and a molecular weight of 407.05 g/mol. Its IUPAC name is 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
PubChem CID107610996
Molecular FormulaC14H11Br2F2NO
Molecular Weight407.05 g/mol
Exact Mass404.92
IUPAC Name4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline
SMILESCOc1ccc(Br)c(CNc2cc(F)c(Br)cc2F)c1
InChIInChI=1S/C14H11Br2F2NO/c1-20-9-2-3-10(15)8(4-9)7-19-14-6-12(17)11(16)5-13(14)18/h2-6,19H,7H2,1H3
InChIKeyGUZFHSJZWTYNSF-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.05
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585589
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2-fluoroaniline
CID 65323673
N-[(2-bromo-5-methoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818482
N-[(2-bromo-5-methoxyphenyl)methyl]-4-chloro-3-fluoroaniline
CID 65324117
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609950
N-[(2-bromo-5-methoxyphenyl)methyl]-2-tert-butylaniline
CID 65323655
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102853232
N-[(2-bromo-5-methoxyphenyl)methyl]-2-chloro-4-methylaniline
CID 65323536
3-[(2-bromo-5-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 65323502
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
N-[(2-bromo-5-methoxyphenyl)methyl]-4-tert-butylaniline
CID 65324147

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline?
The IUPAC name of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline (CID 107610996) is 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline is COc1ccc(Br)c(CNc2cc(F)c(Br)cc2F)c1.
What is the InChIKey of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline?
The InChIKey is GUZFHSJZWTYNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO/c1-20-9-2-3-10(15)8(4-9)7-19-14-6-12(17)11(16)5-13(14)18/h2-6,19H,7H2,1H3.
What are the key properties of 4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline?
4-bromo-N-[(2-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline has a molecular weight of 407.05 g/mol, XLogP of 5.11, 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-bromo-5-methoxyphenyl)methyl]-2,5-difluoroaniline is sourced from PubChem (CID 107610996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).