2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide

C12H10F2N4O2 — CID 59285957

IUPAC2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O
InChIInChI=1S/C12H10F2N4O2/c13-6-1-5(2-7(14)3-6)9-4-8(10(15)19)11(17-9)18-12(16)20/h1-4,17H,(H2,15,19)(H3,16,18,20)
InChIKeyXSMCJRFNPCATKK-UHFFFAOYSA-N
MW280.23 g/mol
LogP1.55
Rot. Bonds3

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

2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 59285957) has the molecular formula C12H10F2N4O2 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID59285957
Molecular FormulaC12H10F2N4O2
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O
InChIInChI=1S/C12H10F2N4O2/c13-6-1-5(2-7(14)3-6)9-4-8(10(15)19)11(17-9)18-12(16)20/h1-4,17H,(H2,15,19)(H3,16,18,20)
InChIKeyXSMCJRFNPCATKK-UHFFFAOYSA-N
XLogP1.55
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide (CID 59285957) is 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is XSMCJRFNPCATKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2/c13-6-1-5(2-7(14)3-6)9-4-8(10(15)19)11(17-9)18-12(16)20/h1-4,17H,(H2,15,19)(H3,16,18,20).
What are the key properties of 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 280.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(3,5-difluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 59285957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).