N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide

C11H12N2O3 — CID 61062523

IUPACN-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C11H12N2O3/c14-11(9-3-4-9)12-7-8-1-5-10(6-2-8)13(15)16/h1-2,5-6,9H,3-4,7H2,(H,12,14)
InChIKeyJTEIWEKPOKUALC-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.62
Rot. Bonds4

About N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide

N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide (PubChem CID 61062523) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
PubChem CID61062523
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC NameN-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)C1CC1
InChIInChI=1S/C11H12N2O3/c14-11(9-3-4-9)12-7-8-1-5-10(6-2-8)13(15)16/h1-2,5-6,9H,3-4,7H2,(H,12,14)
InChIKeyJTEIWEKPOKUALC-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
4-[2-(4-nitrophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673048
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanecarboxamide
CID 90019905
4-[4-(4-nitrophenyl)butylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673532
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
4-(aminomethyl)-N-[(3-nitrophenyl)methyl]cyclohexane-1-carboxamide
CID 79519883

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide (CID 61062523) is N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide is O=C(NCc1ccc([N+](=O)[O-])cc1)C1CC1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide?
The InChIKey is JTEIWEKPOKUALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11(9-3-4-9)12-7-8-1-5-10(6-2-8)13(15)16/h1-2,5-6,9H,3-4,7H2,(H,12,14).
What are the key properties of N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide?
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide has a molecular weight of 220.23 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 61062523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).