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

C11H12N2O3 — CID 4249885

IUPACN-cyclopropyl-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC1
InChIInChI=1S/C11H12N2O3/c14-11(12-9-3-4-9)7-8-1-5-10(6-2-8)13(15)16/h1-2,5-6,9H,3-4,7H2,(H,12,14)
InChIKeyKVPWMFLCEGJCJE-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.42
Rot. Bonds4

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

N-cyclopropyl-2-(4-nitrophenyl)acetamide (PubChem CID 4249885) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-nitrophenyl)acetamide
PubChem CID4249885
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-cyclopropyl-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC1
InChIInChI=1S/C11H12N2O3/c14-11(12-9-3-4-9)7-8-1-5-10(6-2-8)13(15)16/h1-2,5-6,9H,3-4,7H2,(H,12,14)
InChIKeyKVPWMFLCEGJCJE-UHFFFAOYSA-N
XLogP1.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.42
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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Related Compounds

N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633306
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379
2-(4-nitrophenyl)-N-[(1R)-2-oxocyclopentyl]acetamide
CID 58413628
N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide
CID 46158649
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-nitrophenyl)acetate
CID 8851361
potassium 2-(4-nitrophenyl)acetate
CID 15261201
(4-nitrophenyl)methyl N-cyclopentylcarbamate
CID 142246098
N-(2,3-dimethylcyclohexyl)-2-(4-nitrophenyl)acetamide
CID 51165974
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 45144977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-nitrophenyl)acetamide (CID 4249885) is N-cyclopropyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-nitrophenyl)acetamide?
The InChIKey is KVPWMFLCEGJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11(12-9-3-4-9)7-8-1-5-10(6-2-8)13(15)16/h1-2,5-6,9H,3-4,7H2,(H,12,14).
What are the key properties of N-cyclopropyl-2-(4-nitrophenyl)acetamide?
N-cyclopropyl-2-(4-nitrophenyl)acetamide has a molecular weight of 220.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 4249885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).