4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline

C11H8Br2ClNO — CID 62086062

IUPAC4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
SMILESClc1ccc(NCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C11H8Br2ClNO/c12-10-5-9(16-11(10)13)6-15-8-3-1-7(14)2-4-8/h1-5,15H,6H2
InChIKeyPZEOQZNFJCSUIB-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.07
Rot. Bonds3

About 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline

4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline (PubChem CID 62086062) has the molecular formula C11H8Br2ClNO and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
PubChem CID62086062
Molecular FormulaC11H8Br2ClNO
Molecular Weight365.45 g/mol
Exact Mass362.87
IUPAC Name4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
SMILESClc1ccc(NCc2cc(Br)c(Br)o2)cc1
InChIInChI=1S/C11H8Br2ClNO/c12-10-5-9(16-11(10)13)6-15-8-3-1-7(14)2-4-8/h1-5,15H,6H2
InChIKeyPZEOQZNFJCSUIB-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,5-dibromofuran-2-yl)methyl]-4-methylaniline
CID 62084803
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425
2,4,6-trichloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 63425788
N-[(4,5-dibromofuran-2-yl)methyl]-4-(difluoromethylsulfanyl)aniline
CID 62086078
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-4-(difluoromethoxy)aniline
CID 63420324
N-[(4,5-dibromofuran-2-yl)methyl]quinoxalin-6-amine
CID 62084324
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
N-[(4,5-dibromofuran-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804067
3-bromo-N-[(4,5-dibromofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336097
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
N-[(4,5-dibromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819033

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline?
The IUPAC name of 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline (CID 62086062) is 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline?
The canonical SMILES for 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline is Clc1ccc(NCc2cc(Br)c(Br)o2)cc1.
What is the InChIKey of 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline?
The InChIKey is PZEOQZNFJCSUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClNO/c12-10-5-9(16-11(10)13)6-15-8-3-1-7(14)2-4-8/h1-5,15H,6H2.
What are the key properties of 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline?
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline has a molecular weight of 365.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline is sourced from PubChem (CID 62086062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).