2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide

C18H14ClN3O2 — CID 56588235

IUPAC2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O2/c19-12-9-5-4-8-11(12)13-14(18(21)24)17(20)22-15(13)16(23)10-6-2-1-3-7-10/h1-9,22H,20H2,(H2,21,24)
InChIKeyPYZBIJNYDPJPKM-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide

2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 56588235) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID56588235
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C18H14ClN3O2/c19-12-9-5-4-8-11(12)13-14(18(21)24)17(20)22-15(13)16(23)10-6-2-1-3-7-10/h1-9,22H,20H2,(H2,21,24)
InChIKeyPYZBIJNYDPJPKM-UHFFFAOYSA-N
XLogP3.25
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide 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 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide (CID 56588235) is 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Cl.
What is the InChIKey of 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is PYZBIJNYDPJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-12-9-5-4-8-11(12)13-14(18(21)24)17(20)22-15(13)16(23)10-6-2-1-3-7-10/h1-9,22H,20H2,(H2,21,24).
What are the key properties of 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide?
2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzoyl-4-(2-chlorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 56588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).