N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline

C9H8BrClFN — CID 61467052

IUPACN-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
SMILESC=C(Br)CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H8BrClFN/c1-6(10)5-13-7-2-3-8(11)9(12)4-7/h2-4,13H,1,5H2
InChIKeyLZAMSOURCXWOEG-UHFFFAOYSA-N
MW264.53 g/mol
LogP3.80
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline

N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline (PubChem CID 61467052) has the molecular formula C9H8BrClFN and a molecular weight of 264.53 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
PubChem CID61467052
Molecular FormulaC9H8BrClFN
Molecular Weight264.53 g/mol
Exact Mass262.95
IUPAC NameN-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline
SMILESC=C(Br)CNc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H8BrClFN/c1-6(10)5-13-7-2-3-8(11)9(12)4-7/h2-4,13H,1,5H2
InChIKeyLZAMSOURCXWOEG-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-chloro-3-fluoro-N-(2-fluoroethyl)aniline
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N-(2-bromoprop-2-enyl)-5-chloro-2-fluoroaniline
CID 60873202
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
2-[(4-chloro-3-fluoroanilino)methyl]phenol
CID 4913246
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
2-[(3-chloro-4-fluoroanilino)methyl]prop-2-enoic acid
CID 103261363
2-(4-chloro-3-fluoroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 61470206
3-(4-chloro-3-fluoroanilino)-2-methylpropanenitrile
CID 61466785
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,3-diol
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CID 43721424

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline (CID 61467052) is N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline is C=C(Br)CNc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline?
The InChIKey is LZAMSOURCXWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c1-6(10)5-13-7-2-3-8(11)9(12)4-7/h2-4,13H,1,5H2.
What are the key properties of N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline?
N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline has a molecular weight of 264.53 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-chloro-3-fluoroaniline is sourced from PubChem (CID 61467052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).