4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide

C15H12ClN3O2 — CID 52949841

IUPAC4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide
SMILESC=C1C(CC)=C(C#N)C(=O)N1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2/c1-3-12-9(2)19(15(21)13(12)8-17)18-14(20)10-4-6-11(16)7-5-10/h4-7H,2-3H2,1H3,(H,18,20)
InChIKeyGERSDCOYZSDCAV-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide

4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide (PubChem CID 52949841) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide
PubChem CID52949841
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide
SMILESC=C1C(CC)=C(C#N)C(=O)N1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2/c1-3-12-9(2)19(15(21)13(12)8-17)18-14(20)10-4-6-11(16)7-5-10/h4-7H,2-3H2,1H3,(H,18,20)
InChIKeyGERSDCOYZSDCAV-UHFFFAOYSA-N
XLogP2.57
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide (CID 52949841) is 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide is C=C1C(CC)=C(C#N)C(=O)N1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide?
The InChIKey is GERSDCOYZSDCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-3-12-9(2)19(15(21)13(12)8-17)18-14(20)10-4-6-11(16)7-5-10/h4-7H,2-3H2,1H3,(H,18,20).
What are the key properties of 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide?
4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide has a molecular weight of 301.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-cyano-3-ethyl-2-methylidene-5-oxopyrrol-1-yl)benzamide is sourced from PubChem (CID 52949841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).