2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide

C15H14Br2N2O2 — CID 43736688

IUPAC2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C15H14Br2N2O2/c16-11-3-6-13(17)14(7-11)19-8-10-1-4-12(5-2-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyQRJQGJLEQREEMK-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.69
Rot. Bonds6

About 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide

2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide (PubChem CID 43736688) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
PubChem CID43736688
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C15H14Br2N2O2/c16-11-3-6-13(17)14(7-11)19-8-10-1-4-12(5-2-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyQRJQGJLEQREEMK-UHFFFAOYSA-N
XLogP3.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006
4-[(2,5-dibromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032919
2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
CID 60958224
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[3-[(4-bromo-2-cyanoanilino)methyl]phenoxy]acetamide
CID 133463538
2-(3-amino-4-bromophenoxy)acetamide
CID 97033765
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
CID 78820007
2-(4-bromo-3-chlorophenoxy)acetamide
CID 130655715
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide (CID 43736688) is 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide?
The InChIKey is QRJQGJLEQREEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-11-3-6-13(17)14(7-11)19-8-10-1-4-12(5-2-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide?
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide has a molecular weight of 414.10 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 43736688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).