2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

C13H11F3N4O2 — CID 25005712

IUPAC2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccccc2C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)8-4-2-1-3-6(8)9-5-7(10(17)21)11(19-9)20-12(18)22/h1-5,19H,(H2,17,21)(H3,18,20,22)
InChIKeyRZTRBRVOBMVJCP-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.29
Rot. Bonds3

About 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (PubChem CID 25005712) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
PubChem CID25005712
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2ccccc2C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)8-4-2-1-3-6(8)9-5-7(10(17)21)11(19-9)20-12(18)22/h1-5,19H,(H2,17,21)(H3,18,20,22)
InChIKeyRZTRBRVOBMVJCP-UHFFFAOYSA-N
XLogP2.29
TPSA114.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide (CID 25005712) is 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2ccccc2C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
The InChIKey is RZTRBRVOBMVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c14-13(15,16)8-4-2-1-3-6(8)9-5-7(10(17)21)11(19-9)20-12(18)22/h1-5,19H,(H2,17,21)(H3,18,20,22).
What are the key properties of 2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 2.29, 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-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25005712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).