4-bromo-N-(2,3-dichloroprop-2-enyl)aniline

C9H8BrCl2N — CID 79168299

IUPAC4-bromo-N-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1ccc(Br)cc1
InChIInChI=1S/C9H8BrCl2N/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-5,13H,6H2
InChIKeyWDYRDZRRQRIQCY-UHFFFAOYSA-N
MW280.98 g/mol
LogP4.18
Rot. Bonds3

About 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline

4-bromo-N-(2,3-dichloroprop-2-enyl)aniline (PubChem CID 79168299) has the molecular formula C9H8BrCl2N and a molecular weight of 280.98 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(2,3-dichloroprop-2-enyl)aniline
PubChem CID79168299
Molecular FormulaC9H8BrCl2N
Molecular Weight280.98 g/mol
Exact Mass278.92
IUPAC Name4-bromo-N-(2,3-dichloroprop-2-enyl)aniline
SMILESClC=C(Cl)CNc1ccc(Br)cc1
InChIInChI=1S/C9H8BrCl2N/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-5,13H,6H2
InChIKeyWDYRDZRRQRIQCY-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dichloroprop-2-enyl)aniline
CID 79167902
4-tert-butyl-N-(2,3-dichloroprop-2-enyl)aniline
CID 79168001
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
3-bromo-N-(2,3-dichloroprop-2-enyl)-5-(trifluoromethyl)aniline
CID 79168329
2-(4-bromoanilino)acetic acid
CID 6917281
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
(2S)-1-(4-bromoanilino)propan-2-ol
CID 39247732
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
1-(4-bromophenyl)-2-(4-ethylanilino)ethanone
CID 110823643
2,3-dichloro-N-(2,3-dichloroprop-2-enyl)aniline
CID 79167531
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
2-[4-[(4-bromophenyl)methylamino]phenyl]ethanol
CID 61238413

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline?
The IUPAC name of 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline (CID 79168299) is 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline.
What is the SMILES notation for 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline?
The canonical SMILES for 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline is ClC=C(Cl)CNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline?
The InChIKey is WDYRDZRRQRIQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2N/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-5,13H,6H2.
What are the key properties of 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline?
4-bromo-N-(2,3-dichloroprop-2-enyl)aniline has a molecular weight of 280.98 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dichloroprop-2-enyl)aniline is sourced from PubChem (CID 79168299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).