N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide

C10H12N2O4 — CID 141224369

IUPACN-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1CCO
InChIInChI=1S/C10H12N2O4/c1-7(14)11-10-3-2-9(12(15)16)6-8(10)4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyFMGFGKOLKYQQQI-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide

N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide (PubChem CID 141224369) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide
PubChem CID141224369
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1CCO
InChIInChI=1S/C10H12N2O4/c1-7(14)11-10-3-2-9(12(15)16)6-8(10)4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyFMGFGKOLKYQQQI-UHFFFAOYSA-N
XLogP1.09
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

ethyl 2-acetamido-5-nitrobenzoate
CID 141062854
2-cyano-N-(2-ethyl-4-nitrophenyl)acetamide
CID 91681073
azane;2-(2-hydroxyethyl)-5-nitrophenol
CID 19911095
N-(4-nitro-2-propan-2-yloxyphenyl)acetamide
CID 86012496
2-[2-[3-(2-aminoethylamino)propyl]-5-nitrophenyl]ethanol
CID 87779801
N-[3-(2-hydroxyethyl)-5-nitrophenyl]acetamide
CID 91552983
2-(2-hydroxyethyl)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 162727170
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]ethanol
CID 62252511
2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 45097641
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
2-[4-nitro-2-(2-sulfoethyl)phenyl]ethanesulfonic acid
CID 87256026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide (CID 141224369) is N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide is CC(=O)Nc1ccc([N+](=O)[O-])cc1CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide?
The InChIKey is FMGFGKOLKYQQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7(14)11-10-3-2-9(12(15)16)6-8(10)4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,14).
What are the key properties of N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide?
N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-nitrophenyl]acetamide is sourced from PubChem (CID 141224369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).