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

C12H11FN4O2 — CID 25006448

IUPAC2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C12H11FN4O2/c13-7-3-1-2-6(4-7)9-5-8(10(14)18)11(16-9)17-12(15)19/h1-5,16H,(H2,14,18)(H3,15,17,19)
InChIKeyQOJCOLWTSVIAKM-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.41
Rot. Bonds3

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

2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 25006448) has the molecular formula C12H11FN4O2 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID25006448
Molecular FormulaC12H11FN4O2
Molecular Weight262.24 g/mol
Exact Mass262.09
IUPAC Name2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1[nH]c(-c2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C12H11FN4O2/c13-7-3-1-2-6(4-7)9-5-8(10(14)18)11(16-9)17-12(15)19/h1-5,16H,(H2,14,18)(H3,15,17,19)
InChIKeyQOJCOLWTSVIAKM-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

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Related Compounds

Vx-702
CID 10341154
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 9
CID 135524117
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
Pyrrolo-pyrimidone, 2
CID 135524105
Pyrrolo-pyrimidone, 11
CID 135524107
Pyrrolo-pyrimidone, 3
CID 135524114

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide (CID 25006448) is 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)Nc1[nH]c(-c2cccc(F)c2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(3-fluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is QOJCOLWTSVIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O2/c13-7-3-1-2-6(4-7)9-5-8(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-(3-fluorophenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(3-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-(3-fluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).