N-(4-chloro-2-nitrophenyl)acetamide

C8H7ClN2O3 — CID 2788431

IUPACN-(4-chloro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChIKeyQWDUNBOWGVRUCG-UHFFFAOYSA-N
MW214.61 g/mol
LogP2.21
Rot. Bonds2

About N-(4-chloro-2-nitrophenyl)acetamide

N-(4-chloro-2-nitrophenyl)acetamide (PubChem CID 2788431) has the molecular formula C8H7ClN2O3 and a molecular weight of 214.61 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)acetamide
PubChem CID2788431
Molecular FormulaC8H7ClN2O3
Molecular Weight214.61 g/mol
Exact Mass214.01
IUPAC NameN-(4-chloro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7ClN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChIKeyQWDUNBOWGVRUCG-UHFFFAOYSA-N
XLogP2.21
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)acetamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)acetamide (CID 2788431) is N-(4-chloro-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)acetamide is CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)acetamide?
The InChIKey is QWDUNBOWGVRUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12).
What are the key properties of N-(4-chloro-2-nitrophenyl)acetamide?
N-(4-chloro-2-nitrophenyl)acetamide has a molecular weight of 214.61 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)acetamide is sourced from PubChem (CID 2788431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).