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

C11H7Br2F2NO — CID 107609488

IUPAC4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
SMILESFc1cc(NCc2ccc(Br)o2)c(F)cc1Br
InChIInChI=1S/C11H7Br2F2NO/c12-7-3-9(15)10(4-8(7)14)16-5-6-1-2-11(13)17-6/h1-4,16H,5H2
InChIKeyDVFYNEMIHXVNIL-UHFFFAOYSA-N
MW366.99 g/mol
LogP4.69
Rot. Bonds3

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

4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline (PubChem CID 107609488) has the molecular formula C11H7Br2F2NO and a molecular weight of 366.99 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
PubChem CID107609488
Molecular FormulaC11H7Br2F2NO
Molecular Weight366.99 g/mol
Exact Mass364.89
IUPAC Name4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
SMILESFc1cc(NCc2ccc(Br)o2)c(F)cc1Br
InChIInChI=1S/C11H7Br2F2NO/c12-7-3-9(15)10(4-8(7)14)16-5-6-1-2-11(13)17-6/h1-4,16H,5H2
InChIKeyDVFYNEMIHXVNIL-UHFFFAOYSA-N
XLogP4.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.99
LogP ≤ 54.69
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

5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
CID 43555430
5-[(4-bromo-2,5-difluoroanilino)methyl]furan-2-carboxylic acid
CID 107609997
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
5-[(5-bromofuran-2-yl)methylamino]-2,4-difluorobenzoic acid
CID 43737114
2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
CID 43347655
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
CID 62222221
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
4-[(5-bromofuran-2-yl)methylamino]-2,5-dimethylphenol
CID 106953616
4-bromo-2,5-difluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015399
4-bromo-N-[(5-bromofuran-2-yl)methyl]-3,5-dimethylaniline
CID 107571841
2,4,5-trifluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 55118351
4-bromo-2,5-difluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 107609889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline?
The IUPAC name of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline (CID 107609488) is 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline is Fc1cc(NCc2ccc(Br)o2)c(F)cc1Br.
What is the InChIKey of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline?
The InChIKey is DVFYNEMIHXVNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NO/c12-7-3-9(15)10(4-8(7)14)16-5-6-1-2-11(13)17-6/h1-4,16H,5H2.
What are the key properties of 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline?
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline has a molecular weight of 366.99 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline is sourced from PubChem (CID 107609488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).