1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide

C11H10FN3O — CID 86722042

IUPAC1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide
SMILESNn1cc(F)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H10FN3O/c12-8-6-10(15(13)7-8)11(16)14-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,16)
InChIKeyICDQJNLPPPYLSY-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.59
Rot. Bonds2

About 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide

1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide (PubChem CID 86722042) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide
PubChem CID86722042
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide
SMILESNn1cc(F)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H10FN3O/c12-8-6-10(15(13)7-8)11(16)14-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,16)
InChIKeyICDQJNLPPPYLSY-UHFFFAOYSA-N
XLogP1.59
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide (CID 86722042) is 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide is Nn1cc(F)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide?
The InChIKey is ICDQJNLPPPYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-8-6-10(15(13)7-8)11(16)14-9-4-2-1-3-5-9/h1-7H,13H2,(H,14,16).
What are the key properties of 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide?
1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-fluoro-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 86722042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).