N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide

C12H14ClN3O3 — CID 4966305

IUPACN-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-10-7-9(16(18)19)3-4-11(10)14-12(17)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,14,17)
InChIKeyTWENPZGOYZMQSG-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.28
Rot. Bonds4

About N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide

N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 4966305) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID4966305
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H14ClN3O3/c13-10-7-9(16(18)19)3-4-11(10)14-12(17)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,14,17)
InChIKeyTWENPZGOYZMQSG-UHFFFAOYSA-N
XLogP2.28
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide (CID 4966305) is N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is TWENPZGOYZMQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-10-7-9(16(18)19)3-4-11(10)14-12(17)8-15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,14,17).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide?
N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 283.71 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4966305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).