2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide

C13H12FN3O2 — CID 46230804

IUPAC2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide
SMILESNC(=O)NC1=C(C(N)=O)C=C(c2ccc(F)cc2)C1
InChIInChI=1S/C13H12FN3O2/c14-9-3-1-7(2-4-9)8-5-10(12(15)18)11(6-8)17-13(16)19/h1-5H,6H2,(H2,15,18)(H3,16,17,19)
InChIKeyMVARETLRCOTEDU-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.02
Rot. Bonds3

About 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide

2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide (PubChem CID 46230804) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide
PubChem CID46230804
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide
SMILESNC(=O)NC1=C(C(N)=O)C=C(c2ccc(F)cc2)C1
InChIInChI=1S/C13H12FN3O2/c14-9-3-1-7(2-4-9)8-5-10(12(15)18)11(6-8)17-13(16)19/h1-5H,6H2,(H2,15,18)(H3,16,17,19)
InChIKeyMVARETLRCOTEDU-UHFFFAOYSA-N
XLogP1.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-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)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide (CID 46230804) is 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide is NC(=O)NC1=C(C(N)=O)C=C(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide?
The InChIKey is MVARETLRCOTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-9-3-1-7(2-4-9)8-5-10(12(15)18)11(6-8)17-13(16)19/h1-5H,6H2,(H2,15,18)(H3,16,17,19).
What are the key properties of 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide?
2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-(4-fluorophenyl)cyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 46230804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).