N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide

C16H15BrN2O5 — CID 7931889

IUPACN-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H15BrN2O5/c1-10-7-11(3-5-13(10)17)18-16(20)9-24-15-8-12(19(21)22)4-6-14(15)23-2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyCGFTYEAEINOSLQ-UHFFFAOYSA-N
MW395.21 g/mol
LogP3.69
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide

N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 7931889) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID7931889
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C16H15BrN2O5/c1-10-7-11(3-5-13(10)17)18-16(20)9-24-15-8-12(19(21)22)4-6-14(15)23-2/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyCGFTYEAEINOSLQ-UHFFFAOYSA-N
XLogP3.69
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513315
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931678
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931927
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931756
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-nitrobenzoate
CID 2623672
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
N-(3-cyanothiophen-2-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 27271462

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide (CID 7931889) is N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is CGFTYEAEINOSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-10-7-11(3-5-13(10)17)18-16(20)9-24-15-8-12(19(21)22)4-6-14(15)23-2/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide has a molecular weight of 395.21 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 7931889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).