2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide

C12H11FN4O2 — CID 25006824

IUPAC2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccccc2F)cc1C(N)=O
InChIInChI=1S/C12H11FN4O2/c13-8-4-2-1-3-6(8)9-5-7(10(14)18)11(16-9)17-12(15)19/h1-5,16H,(H2,14,18)(H3,15,17,19)
InChIKeyBLGZBVWDFSANHN-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.41
Rot. Bonds3

About 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 25006824) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID25006824
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccccc2F)cc1C(N)=O
InChIInChI=1S/C12H11FN4O2/c13-8-4-2-1-3-6(8)9-5-7(10(14)18)11(16-9)17-12(15)19/h1-5,16H,(H2,14,18)(H3,15,17,19)
InChIKeyBLGZBVWDFSANHN-UHFFFAOYSA-N
XLogP1.41
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 2-(carbamoylamino)-5-(2-fluorophenyl)-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-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide (CID 25006824) is 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2ccccc2F)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is BLGZBVWDFSANHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-8-4-2-1-3-6(8)9-5-7(10(14)18)11(16-9)17-12(15)19/h1-5,16H,(H2,14,18)(H3,15,17,19).
What are the key properties of 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 262.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-fluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25006824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).