N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide

C21H21FN2O2 — CID 42680125

IUPACN-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C21H21FN2O2/c22-19-9-5-4-8-16(19)21(26)24-12-17(14-6-2-1-3-7-14)18(13-24)20(25)23-15-10-11-15/h1-9,15,17-18H,10-13H2,(H,23,25)
InChIKeyLMTPIVAZIHNYRE-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide

N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 42680125) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID42680125
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C21H21FN2O2/c22-19-9-5-4-8-16(19)21(26)24-12-17(14-6-2-1-3-7-14)18(13-24)20(25)23-15-10-11-15/h1-9,15,17-18H,10-13H2,(H,23,25)
InChIKeyLMTPIVAZIHNYRE-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide (CID 42680125) is N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide is O=C(NC1CC1)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1.
What is the InChIKey of N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is LMTPIVAZIHNYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-19-9-5-4-8-16(19)21(26)24-12-17(14-6-2-1-3-7-14)18(13-24)20(25)23-15-10-11-15/h1-9,15,17-18H,10-13H2,(H,23,25).
What are the key properties of N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).