4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline

C10H10BrCl2N — CID 107908489

IUPAC4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline
SMILESC=CC(C)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H10BrCl2N/c1-3-6(2)14-8-5-4-7(11)9(12)10(8)13/h3-6,14H,1H2,2H3
InChIKeyIFTHCKAVYVDOSM-UHFFFAOYSA-N
MW295.01 g/mol
LogP4.74
Rot. Bonds3

About 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline

4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline (PubChem CID 107908489) has the molecular formula C10H10BrCl2N and a molecular weight of 295.01 g/mol. Its IUPAC name is 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline.

Molecular Properties

Compound Name4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline
PubChem CID107908489
Molecular FormulaC10H10BrCl2N
Molecular Weight295.01 g/mol
Exact Mass292.94
IUPAC Name4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline
SMILESC=CC(C)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H10BrCl2N/c1-3-6(2)14-8-5-4-7(11)9(12)10(8)13/h3-6,14H,1H2,2H3
InChIKeyIFTHCKAVYVDOSM-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.01
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-2,3-dichloroanilino)butan-2-ol
CID 107788804
4-bromo-2,3-dichloro-N-pentan-2-ylaniline
CID 107787687
4-bromo-2,3-dichloro-N-pentan-3-ylaniline
CID 107788059
4-bromo-2,3-dichloro-N-prop-2-enylaniline
CID 107789045
2-bromo-N-but-3-en-2-yl-4-fluoroaniline
CID 107906501
2-bromo-N-but-3-en-2-yl-4-iodoaniline
CID 130499100
4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
CID 107787506
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
4-bromo-2,3-dichloro-N-octan-2-ylaniline
CID 107787672
4-(4-bromo-2,3-dichloroanilino)pentanoic acid
CID 114001638
4-bromo-2,3-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 107788093
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline?
The IUPAC name of 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline (CID 107908489) is 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline.
What is the SMILES notation for 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline?
The canonical SMILES for 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline is C=CC(C)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline?
The InChIKey is IFTHCKAVYVDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2N/c1-3-6(2)14-8-5-4-7(11)9(12)10(8)13/h3-6,14H,1H2,2H3.
What are the key properties of 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline?
4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline has a molecular weight of 295.01 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline is sourced from PubChem (CID 107908489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).