methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate

C10H9BrCl2N2O4 — CID 17096542

IUPACmethyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
SMILESCOC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C10H9BrCl2N2O4/c1-18-10(17)15-14-8(16)4-19-9-6(11)2-5(12)3-7(9)13/h2-3H,4H2,1H3,(H,14,16)(H,15,17)
InChIKeyJSKVLPCNNVFESI-UHFFFAOYSA-N
MW372.00 g/mol
LogP2.52
Rot. Bonds3

About methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate

methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate (PubChem CID 17096542) has the molecular formula C10H9BrCl2N2O4 and a molecular weight of 372.00 g/mol. Its IUPAC name is methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
PubChem CID17096542
Molecular FormulaC10H9BrCl2N2O4
Molecular Weight372.00 g/mol
Exact Mass369.91
IUPAC Namemethyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate
SMILESCOC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br
InChIInChI=1S/C10H9BrCl2N2O4/c1-18-10(17)15-14-8(16)4-19-9-6(11)2-5(12)3-7(9)13/h2-3H,4H2,1H3,(H,14,16)(H,15,17)
InChIKeyJSKVLPCNNVFESI-UHFFFAOYSA-N
XLogP2.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.00
LogP ≤ 52.52
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

N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(4-methylphenoxy)acetohydrazide
CID 17096539
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-methoxybenzohydrazide
CID 17095463
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 17096531
2-(2-bromo-4,6-dichlorophenoxy)acetamide
CID 17096616
N-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 17202569
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 17096541
N'-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 17096549
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17096590
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 17095318
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbutanamide
CID 17096580

Frequently Asked Questions

What is the IUPAC name of methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate?
The IUPAC name of methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate (CID 17096542) is methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate.
What is the SMILES notation for methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate?
The canonical SMILES for methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate is COC(=O)NNC(=O)COc1c(Cl)cc(Cl)cc1Br.
What is the InChIKey of methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate?
The InChIKey is JSKVLPCNNVFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N2O4/c1-18-10(17)15-14-8(16)4-19-9-6(11)2-5(12)3-7(9)13/h2-3H,4H2,1H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate?
methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate has a molecular weight of 372.00 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamate is sourced from PubChem (CID 17096542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).