1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide

C21H21FN2O2 — CID 45193815

IUPAC1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C21H21FN2O2/c22-17-10-8-14(9-11-17)16-3-1-4-18(13-16)23-20(25)19-5-2-12-24(19)21(26)15-6-7-15/h1,3-4,8-11,13,15,19H,2,5-7,12H2,(H,23,25)
InChIKeyCGCCYUJEFKBBHN-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.83
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45193815) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45193815
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C21H21FN2O2/c22-17-10-8-14(9-11-17)16-3-1-4-18(13-16)23-20(25)19-5-2-12-24(19)21(26)15-6-7-15/h1,3-4,8-11,13,15,19H,2,5-7,12H2,(H,23,25)
InChIKeyCGCCYUJEFKBBHN-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (CID 45193815) is 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is CGCCYUJEFKBBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-17-10-8-14(9-11-17)16-3-1-4-18(13-16)23-20(25)19-5-2-12-24(19)21(26)15-6-7-15/h1,3-4,8-11,13,15,19H,2,5-7,12H2,(H,23,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-(4-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45193815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).