1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide

C19H14FN3O3 — CID 155144286

IUPAC1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide
SMILESN#CC1(C(N)=O)C=C(c2ccc(F)cc2)C([N+](=O)[O-])C1c1ccccc1
InChIInChI=1S/C19H14FN3O3/c20-14-8-6-12(7-9-14)15-10-19(11-21,18(22)24)16(17(15)23(25)26)13-4-2-1-3-5-13/h1-10,16-17H,(H2,22,24)
InChIKeyOWECFTWQKZAVPW-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.65
Rot. Bonds4

About 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide

1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide (PubChem CID 155144286) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide
PubChem CID155144286
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide
SMILESN#CC1(C(N)=O)C=C(c2ccc(F)cc2)C([N+](=O)[O-])C1c1ccccc1
InChIInChI=1S/C19H14FN3O3/c20-14-8-6-12(7-9-14)15-10-19(11-21,18(22)24)16(17(15)23(25)26)13-4-2-1-3-5-13/h1-10,16-17H,(H2,22,24)
InChIKeyOWECFTWQKZAVPW-UHFFFAOYSA-N
XLogP2.65
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.65
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 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide (CID 155144286) is 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide is N#CC1(C(N)=O)C=C(c2ccc(F)cc2)C([N+](=O)[O-])C1c1ccccc1.
What is the InChIKey of 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide?
The InChIKey is OWECFTWQKZAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-14-8-6-12(7-9-14)15-10-19(11-21,18(22)24)16(17(15)23(25)26)13-4-2-1-3-5-13/h1-10,16-17H,(H2,22,24).
What are the key properties of 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide?
1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-(4-fluorophenyl)-4-nitro-5-phenylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 155144286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).