benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate

C16H14Br2N2O4 — CID 4935845

IUPACbenzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
SMILESO=C(COc1ccc(Br)cc1Br)NNC(=O)OCc1ccccc1
InChIInChI=1S/C16H14Br2N2O4/c17-12-6-7-14(13(18)8-12)23-10-15(21)19-20-16(22)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyPREIOQPRXOPSKO-UHFFFAOYSA-N
MW458.11 g/mol
LogP3.55
Rot. Bonds5

About benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate

benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate (PubChem CID 4935845) has the molecular formula C16H14Br2N2O4 and a molecular weight of 458.11 g/mol. Its IUPAC name is benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
PubChem CID4935845
Molecular FormulaC16H14Br2N2O4
Molecular Weight458.11 g/mol
Exact Mass455.93
IUPAC Namebenzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate
SMILESO=C(COc1ccc(Br)cc1Br)NNC(=O)OCc1ccccc1
InChIInChI=1S/C16H14Br2N2O4/c17-12-6-7-14(13(18)8-12)23-10-15(21)19-20-16(22)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyPREIOQPRXOPSKO-UHFFFAOYSA-N
XLogP3.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.11
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(4-bromo-2-methylphenoxy)-N'-[2-(2-bromo-4-phenylphenoxy)acetyl]acetohydrazide
CID 4960831
benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
CID 4935803
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
(2S)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]butanedioic acid
CID 112732923
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate?
The IUPAC name of benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate (CID 4935845) is benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate.
What is the SMILES notation for benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate?
The canonical SMILES for benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate is O=C(COc1ccc(Br)cc1Br)NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate?
The InChIKey is PREIOQPRXOPSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O4/c17-12-6-7-14(13(18)8-12)23-10-15(21)19-20-16(22)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate?
benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate has a molecular weight of 458.11 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-(2,4-dibromophenoxy)acetyl]amino]carbamate is sourced from PubChem (CID 4935845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).