N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

C12H11FN2O — CID 10987728

IUPACN-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc[nH]1
InChIInChI=1S/C12H11FN2O/c13-10-4-1-3-9(7-10)8-15-12(16)11-5-2-6-14-11/h1-7,14H,8H2,(H,15,16)
InChIKeyJUPYWIAXNPUABO-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.08
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 10987728) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID10987728
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC NameN-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc[nH]1
InChIInChI=1S/C12H11FN2O/c13-10-4-1-3-9(7-10)8-15-12(16)11-5-2-6-14-11/h1-7,14H,8H2,(H,15,16)
InChIKeyJUPYWIAXNPUABO-UHFFFAOYSA-N
XLogP2.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 10987728) is N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1cccc(F)c1)c1ccc[nH]1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JUPYWIAXNPUABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-4-1-3-9(7-10)8-15-12(16)11-5-2-6-14-11/h1-7,14H,8H2,(H,15,16).
What are the key properties of N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 218.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10987728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).