N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide

C11H15FN2O — CID 126790799

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1F)c1cc[nH]c1
InChIInChI=1S/C11H15FN2O/c12-9-3-1-2-4-10(9)14-11(15)8-5-6-13-7-8/h5-7,9-10,13H,1-4H2,(H,14,15)/t9-,10-/m1/s1
InChIKeyQZAMIEVDEPFHSL-NXEZZACHSA-N
MW210.25 g/mol
LogP2.03
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide (PubChem CID 126790799) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide
PubChem CID126790799
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1F)c1cc[nH]c1
InChIInChI=1S/C11H15FN2O/c12-9-3-1-2-4-10(9)14-11(15)8-5-6-13-7-8/h5-7,9-10,13H,1-4H2,(H,14,15)/t9-,10-/m1/s1
InChIKeyQZAMIEVDEPFHSL-NXEZZACHSA-N
XLogP2.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide (CID 126790799) is N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1F)c1cc[nH]c1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide?
The InChIKey is QZAMIEVDEPFHSL-NXEZZACHSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-3-1-2-4-10(9)14-11(15)8-5-6-13-7-8/h5-7,9-10,13H,1-4H2,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide has a molecular weight of 210.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126790799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).