N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide

C15H12BrClN2O4 — CID 2513315

IUPACN-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1Br
InChIInChI=1S/C15H12BrClN2O4/c1-9-6-10(2-4-12(9)16)18-15(20)8-23-14-5-3-11(19(21)22)7-13(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyKYVSRPFFGCUBFS-UHFFFAOYSA-N
MW399.63 g/mol
LogP4.34
Rot. Bonds5

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

N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide (PubChem CID 2513315) has the molecular formula C15H12BrClN2O4 and a molecular weight of 399.63 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
PubChem CID2513315
Molecular FormulaC15H12BrClN2O4
Molecular Weight399.63 g/mol
Exact Mass397.97
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1Br
InChIInChI=1S/C15H12BrClN2O4/c1-9-6-10(2-4-12(9)16)18-15(20)8-23-14-5-3-11(19(21)22)7-13(14)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyKYVSRPFFGCUBFS-UHFFFAOYSA-N
XLogP4.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-5-nitrophenoxy)acetamide
CID 7931889
2-(2-chloro-4-nitrophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8587877
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8587696
2-(2-chloro-4-nitrophenoxy)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 35139385
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-bromo-4-methylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 1185944
N-(4-bromo-3-methylphenyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7959173
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-nitrobenzoate
CID 2623672
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide (CID 2513315) is N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide is Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
The InChIKey is KYVSRPFFGCUBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O4/c1-9-6-10(2-4-12(9)16)18-15(20)8-23-14-5-3-11(19(21)22)7-13(14)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide has a molecular weight of 399.63 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide is sourced from PubChem (CID 2513315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).