N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline

C11H8BrClFNO — CID 106885213

IUPACN-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
SMILESFc1cc(NCc2occc2Br)ccc1Cl
InChIInChI=1S/C11H8BrClFNO/c12-8-3-4-16-11(8)6-15-7-1-2-9(13)10(14)5-7/h1-5,15H,6H2
InChIKeyGNQIZFFKCSSZFZ-UHFFFAOYSA-N
MW304.55 g/mol
LogP4.45
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline

N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline (PubChem CID 106885213) has the molecular formula C11H8BrClFNO and a molecular weight of 304.55 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
PubChem CID106885213
Molecular FormulaC11H8BrClFNO
Molecular Weight304.55 g/mol
Exact Mass302.95
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
SMILESFc1cc(NCc2occc2Br)ccc1Cl
InChIInChI=1S/C11H8BrClFNO/c12-8-3-4-16-11(8)6-15-7-1-2-9(13)10(14)5-7/h1-5,15H,6H2
InChIKeyGNQIZFFKCSSZFZ-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-nitroaniline
CID 106885206
N-[(3-bromofuran-2-yl)methyl]-4-ethoxy-3-fluoroaniline
CID 113268194
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
N-[(3-bromofuran-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103946824
4-[(3-bromofuran-2-yl)methylamino]phenol
CID 102809769
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834
4-[(3-bromofuran-2-yl)methylamino]-2-methylphenol
CID 106885444
4-chloro-N-[(3,4-difluorophenyl)methyl]-3-fluoroaniline
CID 43721394
N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 106885182
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]propanamide
CID 106885136
4-chloro-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-fluoroaniline
CID 43786135

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline (CID 106885213) is N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline is Fc1cc(NCc2occc2Br)ccc1Cl.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline?
The InChIKey is GNQIZFFKCSSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO/c12-8-3-4-16-11(8)6-15-7-1-2-9(13)10(14)5-7/h1-5,15H,6H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline?
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline has a molecular weight of 304.55 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline is sourced from PubChem (CID 106885213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).