N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide

C17H16Br2N2O4 — CID 19202464

IUPACN-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1
InChIInChI=1S/C17H16Br2N2O4/c1-2-3-11-4-7-16(14(19)8-11)25-10-17(22)20-15-6-5-12(21(23)24)9-13(15)18/h4-9H,2-3,10H2,1H3,(H,20,22)
InChIKeyWPMDWVDJQSXDNZ-UHFFFAOYSA-N
MW472.13 g/mol
LogP5.09
Rot. Bonds7

About N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide

N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide (PubChem CID 19202464) has the molecular formula C17H16Br2N2O4 and a molecular weight of 472.13 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
PubChem CID19202464
Molecular FormulaC17H16Br2N2O4
Molecular Weight472.13 g/mol
Exact Mass469.95
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1
InChIInChI=1S/C17H16Br2N2O4/c1-2-3-11-4-7-16(14(19)8-11)25-10-17(22)20-15-6-5-12(21(23)24)9-13(15)18/h4-9H,2-3,10H2,1H3,(H,20,22)
InChIKeyWPMDWVDJQSXDNZ-UHFFFAOYSA-N
XLogP5.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.13
LogP ≤ 55.09
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-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
N-(2-bromo-4-methylphenyl)-2-(2-fluoro-4-nitrophenoxy)acetamide
CID 55733652
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoic acid
CID 53264106
2-(2-bromo-4-propylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 19202395
N-(2-bromo-4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791139
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(2-bromo-4-propylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 19201701
N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202630
2-(2-bromo-4-propylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19202954
2-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-4-nitroaniline
CID 43790254

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide (CID 19202464) is N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
The InChIKey is WPMDWVDJQSXDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O4/c1-2-3-11-4-7-16(14(19)8-11)25-10-17(22)20-15-6-5-12(21(23)24)9-13(15)18/h4-9H,2-3,10H2,1H3,(H,20,22).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide?
N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide has a molecular weight of 472.13 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide is sourced from PubChem (CID 19202464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).