N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide

C16H15BrN2O4 — CID 53268222

IUPACN-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1
InChIInChI=1S/C16H15BrN2O4/c1-2-11-3-8-15(14(17)9-11)18-16(20)10-23-13-6-4-12(5-7-13)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyNYYLDRSTIHNWPB-UHFFFAOYSA-N
MW379.21 g/mol
LogP3.94
Rot. Bonds6

About N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide

N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 53268222) has the molecular formula C16H15BrN2O4 and a molecular weight of 379.21 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID53268222
Molecular FormulaC16H15BrN2O4
Molecular Weight379.21 g/mol
Exact Mass378.02
IUPAC NameN-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1
InChIInChI=1S/C16H15BrN2O4/c1-2-11-3-8-15(14(17)9-11)18-16(20)10-23-13-6-4-12(5-7-13)19(21)22/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyNYYLDRSTIHNWPB-UHFFFAOYSA-N
XLogP3.94
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 53.94
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

2-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
N-(2-bromo-4-nitrophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19173082
N-(2-bromo-4-nitrophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202464
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 56530016
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844670
2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide
CID 17220959
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
[2-(2-bromoanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770703

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide (CID 53268222) is N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide is CCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is NYYLDRSTIHNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4/c1-2-11-3-8-15(14(17)9-11)18-16(20)10-23-13-6-4-12(5-7-13)19(21)22/h3-9H,2,10H2,1H3,(H,18,20).
What are the key properties of N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 379.21 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 53268222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).