N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide

C22H25FN2O2 — CID 42680184

IUPACN,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C22H25FN2O2/c1-3-24(4-2)22(27)19-15-25(14-18(19)16-10-6-5-7-11-16)21(26)17-12-8-9-13-20(17)23/h5-13,18-19H,3-4,14-15H2,1-2H3
InChIKeyHHFYCORGPGRMOS-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.55
Rot. Bonds5

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

N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide (PubChem CID 42680184) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide
PubChem CID42680184
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1
InChIInChI=1S/C22H25FN2O2/c1-3-24(4-2)22(27)19-15-25(14-18(19)16-10-6-5-7-11-16)21(26)17-12-8-9-13-20(17)23/h5-13,18-19H,3-4,14-15H2,1-2H3
InChIKeyHHFYCORGPGRMOS-UHFFFAOYSA-N
XLogP3.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide (CID 42680184) is N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CN(C(=O)c2ccccc2F)CC1c1ccccc1.
What is the InChIKey of N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is HHFYCORGPGRMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-3-24(4-2)22(27)19-15-25(14-18(19)16-10-6-5-7-11-16)21(26)17-12-8-9-13-20(17)23/h5-13,18-19H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide?
N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2-fluorobenzoyl)-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).