N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide

C16H14N2O3 — CID 16558552

IUPACN-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H14N2O3/c19-15(16(9-10-16)12-5-2-1-3-6-12)17-13-7-4-8-14(11-13)18(20)21/h1-8,11H,9-10H2,(H,17,19)
InChIKeyJUZZBRFXARGZJT-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.27
Rot. Bonds4

About N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide

N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 16558552) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID16558552
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC1
InChIInChI=1S/C16H14N2O3/c19-15(16(9-10-16)12-5-2-1-3-6-12)17-13-7-4-8-14(11-13)18(20)21/h1-8,11H,9-10H2,(H,17,19)
InChIKeyJUZZBRFXARGZJT-UHFFFAOYSA-N
XLogP3.27
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.27
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-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
1-[(3-nitrophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095390
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
1-(aminomethyl)-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 81485238
N-(3-nitrophenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243583
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
1-[(3-nitrophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 43341699
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide (CID 16558552) is N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is JUZZBRFXARGZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(16(9-10-16)12-5-2-1-3-6-12)17-13-7-4-8-14(11-13)18(20)21/h1-8,11H,9-10H2,(H,17,19).
What are the key properties of N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 16558552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).