N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline

C11H8BrClFNO — CID 43716493

IUPACN-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NCc1ccc(Br)o1
InChIInChI=1S/C11H8BrClFNO/c12-11-4-2-8(16-11)6-15-10-3-1-7(13)5-9(10)14/h1-5,15H,6H2
InChIKeyIWFOZYSCSXZMKG-UHFFFAOYSA-N
MW304.55 g/mol
LogP4.45
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline

N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline (PubChem CID 43716493) has the molecular formula C11H8BrClFNO and a molecular weight of 304.55 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
PubChem CID43716493
Molecular FormulaC11H8BrClFNO
Molecular Weight304.55 g/mol
Exact Mass302.95
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NCc1ccc(Br)o1
InChIInChI=1S/C11H8BrClFNO/c12-11-4-2-8(16-11)6-15-10-3-1-7(13)5-9(10)14/h1-5,15H,6H2
InChIKeyIWFOZYSCSXZMKG-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-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
CID 107609488
5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
CID 43555430
N-[(5-bromofuran-2-yl)methyl]-2-chloro-4-iodoaniline
CID 43733657
5-[(5-bromofuran-2-yl)methylamino]-2,4-difluorobenzoic acid
CID 43737114
2-[(5-bromofuran-2-yl)methylamino]-4-chloro-N,N-dimethylbenzamide
CID 43737640
[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28543316
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
N-[(2-bromo-4-fluorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 63491887
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline (CID 43716493) is N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline is Fc1cc(Cl)ccc1NCc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline?
The InChIKey is IWFOZYSCSXZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO/c12-11-4-2-8(16-11)6-15-10-3-1-7(13)5-9(10)14/h1-5,15H,6H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline?
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-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-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline is sourced from PubChem (CID 43716493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).