4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline

C9H6BrCl2F2N — CID 107610901

IUPAC4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline
SMILESFc1cc(NC/C(Cl)=C/Cl)c(F)cc1Br
InChIInChI=1S/C9H6BrCl2F2N/c10-6-1-8(14)9(2-7(6)13)15-4-5(12)3-11/h1-3,15H,4H2/b5-3-
InChIKeyATMDOIUQWRRCFN-HYXAFXHYSA-N
MW316.96 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline

4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline (PubChem CID 107610901) has the molecular formula C9H6BrCl2F2N and a molecular weight of 316.96 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline
PubChem CID107610901
Molecular FormulaC9H6BrCl2F2N
Molecular Weight316.96 g/mol
Exact Mass314.90
IUPAC Name4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline
SMILESFc1cc(NC/C(Cl)=C/Cl)c(F)cc1Br
InChIInChI=1S/C9H6BrCl2F2N/c10-6-1-8(14)9(2-7(6)13)15-4-5(12)3-11/h1-3,15H,4H2/b5-3-
InChIKeyATMDOIUQWRRCFN-HYXAFXHYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.96
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,5-difluoroanilino)-N-pentan-3-ylacetamide
CID 103843112
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
ethyl 2-[(4-bromo-2,5-difluoroanilino)methyl]prop-2-enoate
CID 107613453
4-bromo-N-(3,3-dimethylbutyl)-2,5-difluoroaniline
CID 107609345
2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile
CID 82015391
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
4-bromo-2,5-difluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 107609889
4-bromo-N-(4,4-dimethylpent-2-ynyl)-2,5-difluoroaniline
CID 114189923
5-bromo-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 102852740
4-bromo-N-(cyclopentylmethyl)-2,5-difluoroaniline
CID 107609807

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline?
The IUPAC name of 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline (CID 107610901) is 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline.
What is the SMILES notation for 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline?
The canonical SMILES for 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline is Fc1cc(NC/C(Cl)=C/Cl)c(F)cc1Br.
What is the InChIKey of 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline?
The InChIKey is ATMDOIUQWRRCFN-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H6BrCl2F2N/c10-6-1-8(14)9(2-7(6)13)15-4-5(12)3-11/h1-3,15H,4H2/b5-3-.
What are the key properties of 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline?
4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline has a molecular weight of 316.96 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline is sourced from PubChem (CID 107610901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).