2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide

C19H21BrN2O4 — CID 132581879

IUPAC2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide
SMILESCCN(CC)C(=O)C(c1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC
InChIInChI=1S/C19H21BrN2O4/c1-4-21(5-2)19(23)18(15-8-6-7-9-17(15)26-3)14-11-10-13(22(24)25)12-16(14)20/h6-12,18H,4-5H2,1-3H3
InChIKeyAPENGFOZLNBFFA-UHFFFAOYSA-N
MW421.29 g/mol
LogP4.37
Rot. Bonds7

About 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide

2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide (PubChem CID 132581879) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide
PubChem CID132581879
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide
SMILESCCN(CC)C(=O)C(c1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC
InChIInChI=1S/C19H21BrN2O4/c1-4-21(5-2)19(23)18(15-8-6-7-9-17(15)26-3)14-11-10-13(22(24)25)12-16(14)20/h6-12,18H,4-5H2,1-3H3
InChIKeyAPENGFOZLNBFFA-UHFFFAOYSA-N
XLogP4.37
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
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

4-hydroxy-4-(2-methoxy-5-nitrophenyl)butan-2-one
CID 4641694
(2-ethyl-5-nitrophenyl)-(2-methoxyphenyl)methanamine
CID 43824948
2-bromo-2-(2-methoxy-5-nitrophenyl)acetic acid
CID 18913798
2-bromo-N-[(2-methoxyphenyl)methyl]-4-nitroaniline
CID 43742233
(1R)-1-[2-(2-methoxy-5-nitrophenoxy)phenyl]ethanol
CID 78938858
2-bromo-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 1371919
N,N-diethyl-2-[(2-methoxy-5-nitrophenyl)methyl-methylamino]acetamide
CID 134044889
1-(2-methoxy-5-nitrophenyl)propan-1-amine
CID 43825597
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
CID 134005734
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
2-(2-bromo-4-nitrophenyl)-4-methylpentanoic acid
CID 104571669
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 55862096

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide (CID 132581879) is 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide is CCN(CC)C(=O)C(c1ccc([N+](=O)[O-])cc1Br)c1ccccc1OC.
What is the InChIKey of 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide?
The InChIKey is APENGFOZLNBFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-4-21(5-2)19(23)18(15-8-6-7-9-17(15)26-3)14-11-10-13(22(24)25)12-16(14)20/h6-12,18H,4-5H2,1-3H3.
What are the key properties of 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide?
2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide has a molecular weight of 421.29 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-nitrophenyl)-N,N-diethyl-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 132581879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).