N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline

C15H11Br2NO — CID 43683009

IUPACN-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
SMILESBrc1ccc(NCc2cc3ccccc3o2)c(Br)c1
InChIInChI=1S/C15H11Br2NO/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-8,18H,9H2
InChIKeyJIFBTIREIFRXAH-UHFFFAOYSA-N
MW381.07 g/mol
LogP5.57
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline

N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline (PubChem CID 43683009) has the molecular formula C15H11Br2NO and a molecular weight of 381.07 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
PubChem CID43683009
Molecular FormulaC15H11Br2NO
Molecular Weight381.07 g/mol
Exact Mass378.92
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline
SMILESBrc1ccc(NCc2cc3ccccc3o2)c(Br)c1
InChIInChI=1S/C15H11Br2NO/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-8,18H,9H2
InChIKeyJIFBTIREIFRXAH-UHFFFAOYSA-N
XLogP5.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.07
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-2-bromo-4-nitroaniline
CID 43742194
N-(1-benzofuran-2-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61166186
[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
CID 64579776
N-[1-(1-benzofuran-2-yl)ethyl]-2,4-dibromoaniline
CID 43683127
4-(1-benzofuran-2-ylmethylamino)-3-chlorobenzonitrile
CID 107807472
N-(1-benzofuran-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60931110
N-(1-benzofuran-2-ylmethyl)quinolin-8-amine
CID 30056544
N-(1-benzofuran-2-ylmethyl)furan-2-amine
CID 69320598
N-(1-benzofuran-2-ylmethyl)-2-ethoxy-4-methylaniline
CID 60935044
4-(1-benzofuran-2-ylmethylamino)-3-methylbenzoic acid
CID 43736002
2-[2-(1-benzofuran-2-ylmethylamino)phenyl]acetamide
CID 43738402
2,4-dibromo-N-[(2-chlorophenyl)methyl]aniline
CID 43229923

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline (CID 43683009) is N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline is Brc1ccc(NCc2cc3ccccc3o2)c(Br)c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline?
The InChIKey is JIFBTIREIFRXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-8,18H,9H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline?
N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline has a molecular weight of 381.07 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2,4-dibromoaniline is sourced from PubChem (CID 43683009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).