[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol

C12H11Br2NO2 — CID 64579776

IUPAC[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Br)cc2Br)o1
InChIInChI=1S/C12H11Br2NO2/c13-8-1-4-12(11(14)5-8)15-6-9-2-3-10(7-16)17-9/h1-5,15-16H,6-7H2
InChIKeyFKQYPCFASKRJOO-UHFFFAOYSA-N
MW361.03 g/mol
LogP3.91
Rot. Bonds4

About [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol

[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol (PubChem CID 64579776) has the molecular formula C12H11Br2NO2 and a molecular weight of 361.03 g/mol. Its IUPAC name is [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
PubChem CID64579776
Molecular FormulaC12H11Br2NO2
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Br)cc2Br)o1
InChIInChI=1S/C12H11Br2NO2/c13-8-1-4-12(11(14)5-8)15-6-9-2-3-10(7-16)17-9/h1-5,15-16H,6-7H2
InChIKeyFKQYPCFASKRJOO-UHFFFAOYSA-N
XLogP3.91
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
[5-[(2-bromo-4-iodoanilino)methyl]furan-2-yl]methanol
CID 114259104
[5-[(5-bromo-2-chloroanilino)methyl]furan-2-yl]methanol
CID 64591430
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
CID 43683009
[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 115924605
4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 64578614
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
5-bromo-2-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43787920
5-bromo-2-[(5-ethylfuran-2-yl)methylamino]benzonitrile
CID 82708078
3-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 107807498
5-bromo-2-chloro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 62913568

Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol (CID 64579776) is [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(Br)cc2Br)o1.
What is the InChIKey of [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol?
The InChIKey is FKQYPCFASKRJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO2/c13-8-1-4-12(11(14)5-8)15-6-9-2-3-10(7-16)17-9/h1-5,15-16H,6-7H2.
What are the key properties of [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol?
[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol has a molecular weight of 361.03 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64579776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).