2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide

C15H12BrN3O7 — CID 17050066

IUPAC2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide
SMILESCOc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12BrN3O7/c1-25-15-12(18(21)22)6-10(7-13(15)19(23)24)17-14(20)8-26-11-4-2-9(16)3-5-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyCOYVTHGFKMNLLZ-UHFFFAOYSA-N
MW426.18 g/mol
LogP3.29
Rot. Bonds7

About 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide

2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide (PubChem CID 17050066) has the molecular formula C15H12BrN3O7 and a molecular weight of 426.18 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide
PubChem CID17050066
Molecular FormulaC15H12BrN3O7
Molecular Weight426.18 g/mol
Exact Mass424.99
IUPAC Name2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide
SMILESCOc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12BrN3O7/c1-25-15-12(18(21)22)6-10(7-13(15)19(23)24)17-14(20)8-26-11-4-2-9(16)3-5-11/h2-7H,8H2,1H3,(H,17,20)
InChIKeyCOYVTHGFKMNLLZ-UHFFFAOYSA-N
XLogP3.29
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
N-(4-methoxy-3,5-dinitrophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17050385
4-butoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17050202
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
3-bromo-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 17358287
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1371979
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide (CID 17050066) is 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide is COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide?
The InChIKey is COYVTHGFKMNLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O7/c1-25-15-12(18(21)22)6-10(7-13(15)19(23)24)17-14(20)8-26-11-4-2-9(16)3-5-11/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide?
2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide has a molecular weight of 426.18 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(4-methoxy-3,5-dinitrophenyl)acetamide is sourced from PubChem (CID 17050066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).