N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C21H24FN3O — CID 72931917

IUPACN-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C21H24FN3O/c22-18-8-6-16(7-9-18)17-4-3-5-19(14-17)23-21(26)25-13-10-20(15-25)24-11-1-2-12-24/h3-9,14,20H,1-2,10-13,15H2,(H,23,26)
InChIKeyGFOBWLATCJZNQE-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.19
Rot. Bonds3

About N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 72931917) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID72931917
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C21H24FN3O/c22-18-8-6-16(7-9-18)17-4-3-5-19(14-17)23-21(26)25-13-10-20(15-25)24-11-1-2-12-24/h3-9,14,20H,1-2,10-13,15H2,(H,23,26)
InChIKeyGFOBWLATCJZNQE-UHFFFAOYSA-N
XLogP4.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47049742
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 25451663
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
(3R)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95786556
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 72931917) is N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc(-c2ccc(F)cc2)c1)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is GFOBWLATCJZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-18-8-6-16(7-9-18)17-4-3-5-19(14-17)23-21(26)25-13-10-20(15-25)24-11-1-2-12-24/h3-9,14,20H,1-2,10-13,15H2,(H,23,26).
What are the key properties of N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72931917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).