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

C14H10BrF4NO — CID 107609590

IUPAC4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
SMILESFc1cc(NCc2ccccc2OC(F)F)c(F)cc1Br
InChIInChI=1S/C14H10BrF4NO/c15-9-5-11(17)12(6-10(9)16)20-7-8-3-1-2-4-13(8)21-14(18)19/h1-6,14,20H,7H2
InChIKeyRITYTAMESOTNEE-UHFFFAOYSA-N
MW364.14 g/mol
LogP4.94
Rot. Bonds5

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

4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline (PubChem CID 107609590) has the molecular formula C14H10BrF4NO and a molecular weight of 364.14 g/mol. Its IUPAC name is 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
PubChem CID107609590
Molecular FormulaC14H10BrF4NO
Molecular Weight364.14 g/mol
Exact Mass362.99
IUPAC Name4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
SMILESFc1cc(NCc2ccccc2OC(F)F)c(F)cc1Br
InChIInChI=1S/C14H10BrF4NO/c15-9-5-11(17)12(6-10(9)16)20-7-8-3-1-2-4-13(8)21-14(18)19/h1-6,14,20H,7H2
InChIKeyRITYTAMESOTNEE-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 54.94
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-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609950
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
5-bromo-2-[[2-(difluoromethoxy)phenyl]methylamino]benzonitrile
CID 78994094
4-bromo-N-[(2-cyclopropylphenyl)methyl]-2,5-difluoroaniline
CID 107609725
2-[(4-bromo-2,5-difluoroanilino)methyl]benzoic acid
CID 107613444
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
N-[(4,5-dibromofuran-2-yl)methyl]-1-[2-(difluoromethoxy)phenyl]methanamine
CID 62084106
2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline
CID 86947132
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline?
The IUPAC name of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline (CID 107609590) is 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline?
The canonical SMILES for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline is Fc1cc(NCc2ccccc2OC(F)F)c(F)cc1Br.
What is the InChIKey of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline?
The InChIKey is RITYTAMESOTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4NO/c15-9-5-11(17)12(6-10(9)16)20-7-8-3-1-2-4-13(8)21-14(18)19/h1-6,14,20H,7H2.
What are the key properties of 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline?
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline has a molecular weight of 364.14 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline is sourced from PubChem (CID 107609590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).