N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide

C10H12BrClN2O4 — CID 58713604

IUPACN-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide
SMILESO=C(COCCCl)Nc1cc(NOO)ccc1Br
InChIInChI=1S/C10H12BrClN2O4/c11-8-2-1-7(14-18-16)5-9(8)13-10(15)6-17-4-3-12/h1-2,5,14,16H,3-4,6H2,(H,13,15)
InChIKeyVVFYLKKIJSJUJH-UHFFFAOYSA-N
MW339.57 g/mol
LogP2.46
Rot. Bonds7

About N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide

N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide (PubChem CID 58713604) has the molecular formula C10H12BrClN2O4 and a molecular weight of 339.57 g/mol. Its IUPAC name is N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide
PubChem CID58713604
Molecular FormulaC10H12BrClN2O4
Molecular Weight339.57 g/mol
Exact Mass337.97
IUPAC NameN-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide
SMILESO=C(COCCCl)Nc1cc(NOO)ccc1Br
InChIInChI=1S/C10H12BrClN2O4/c11-8-2-1-7(14-18-16)5-9(8)13-10(15)6-17-4-3-12/h1-2,5,14,16H,3-4,6H2,(H,13,15)
InChIKeyVVFYLKKIJSJUJH-UHFFFAOYSA-N
XLogP2.46
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-(2-chloroethoxy)acetamide
CID 59276950
2-(2-aminoethoxy)-N-(2,5-dibromophenyl)acetamide
CID 79474102
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
N-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678339
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
2-(2-aminoethoxy)-N-(2,4-dibromophenyl)acetamide
CID 79473463
2-[2-[(2,5-dibromophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468309
2-chloro-N-[(2,5-dibromophenyl)carbamoyl]acetamide
CID 61468365
2-[2-[(2-bromo-5-fluorophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107636384
N-(4-bromo-3-nitrophenyl)-2-ethoxyacetamide
CID 79767714
N-(2-bromo-5-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 103020720

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide?
The IUPAC name of N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide (CID 58713604) is N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide.
What is the SMILES notation for N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide?
The canonical SMILES for N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide is O=C(COCCCl)Nc1cc(NOO)ccc1Br.
What is the InChIKey of N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide?
The InChIKey is VVFYLKKIJSJUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O4/c11-8-2-1-7(14-18-16)5-9(8)13-10(15)6-17-4-3-12/h1-2,5,14,16H,3-4,6H2,(H,13,15).
What are the key properties of N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide?
N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide has a molecular weight of 339.57 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(hydroperoxyamino)phenyl]-2-(2-chloroethoxy)acetamide is sourced from PubChem (CID 58713604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).