5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline

C9H8BrCl2N — CID 63491940

IUPAC5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline
SMILESC=C(Cl)CNc1cc(Br)ccc1Cl
InChIInChI=1S/C9H8BrCl2N/c1-6(11)5-13-9-4-7(10)2-3-8(9)12/h2-4,13H,1,5H2
InChIKeyXNDSABKFYLKCBH-UHFFFAOYSA-N
MW280.98 g/mol
LogP4.27
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline

5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline (PubChem CID 63491940) has the molecular formula C9H8BrCl2N and a molecular weight of 280.98 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline
PubChem CID63491940
Molecular FormulaC9H8BrCl2N
Molecular Weight280.98 g/mol
Exact Mass278.92
IUPAC Name5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline
SMILESC=C(Cl)CNc1cc(Br)ccc1Cl
InChIInChI=1S/C9H8BrCl2N/c1-6(11)5-13-9-4-7(10)2-3-8(9)12/h2-4,13H,1,5H2
InChIKeyXNDSABKFYLKCBH-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.98
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-chloroanilino)acetamide
CID 62914883
2-(5-bromo-2-chloroanilino)-N-(4-chlorophenyl)acetamide
CID 63492462
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
CID 107606379
3-(5-bromo-2-chloroanilino)propanenitrile
CID 62914516
N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 62914885
N-(2-bromoprop-2-enyl)-2-chloro-5-methylaniline
CID 107634618
[5-[(5-bromo-2-chloroanilino)methyl]furan-2-yl]methanol
CID 64591430
4-[(5-bromo-2-chloroanilino)methyl]-2,6-difluorophenol
CID 79891306
1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
CID 110823626
2-(5-bromo-2-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 55131664
2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline?
The IUPAC name of 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline (CID 63491940) is 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline is C=C(Cl)CNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline?
The InChIKey is XNDSABKFYLKCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2N/c1-6(11)5-13-9-4-7(10)2-3-8(9)12/h2-4,13H,1,5H2.
What are the key properties of 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline?
5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline has a molecular weight of 280.98 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline is sourced from PubChem (CID 63491940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).