N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide

C11H12N2O3 — CID 2792229

IUPACN-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CC1
InChIInChI=1S/C11H12N2O3/c1-7-6-9(13(15)16)4-5-10(7)12-11(14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,12,14)
InChIKeyOCPIIXYZBQDGKP-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.25
Rot. Bonds3

About N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide

N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide (PubChem CID 2792229) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
PubChem CID2792229
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)C1CC1
InChIInChI=1S/C11H12N2O3/c1-7-6-9(13(15)16)4-5-10(7)12-11(14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,12,14)
InChIKeyOCPIIXYZBQDGKP-UHFFFAOYSA-N
XLogP2.25
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.25
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'}

Analyze N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
cis-(1S,2R)-2-[(2-methyl-4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366490
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
6-[(2-methyl-4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 45331123
N-[1-(4-aminocyclohexyl)ethenyl]-2-methyl-4-nitroaniline
CID 142902799
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
(1R,2S,3R,4S)-3-[(2-methyl-4-nitrophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11900686
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide (CID 2792229) is N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide?
The InChIKey is OCPIIXYZBQDGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-6-9(13(15)16)4-5-10(7)12-11(14)8-2-3-8/h4-6,8H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide?
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide has a molecular weight of 220.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 2792229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).