4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C19H21FN2O3 — CID 42680934

IUPAC4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccco2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-12(2)21-18(23)16-11-22(19(24)17-4-3-9-25-17)10-15(16)13-5-7-14(20)8-6-13/h3-9,12,15-16H,10-11H2,1-2H3,(H,21,23)
InChIKeyBWVQVIVBMTVMEI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.80
Rot. Bonds4

About 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide

4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 42680934) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID42680934
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1CN(C(=O)c2ccco2)CC1c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-12(2)21-18(23)16-11-22(19(24)17-4-3-9-25-17)10-15(16)13-5-7-14(20)8-6-13/h3-9,12,15-16H,10-11H2,1-2H3,(H,21,23)
InChIKeyBWVQVIVBMTVMEI-UHFFFAOYSA-N
XLogP2.80
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42680933
1-(3-chlorobenzoyl)-4-(4-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 42827096
(3aR,6aS)-2-(furan-2-carbonyl)-N-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxamide
CID 98260311
(3R,4R)-4-(3-fluorophenyl)-1-(furan-2-carbonyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93152582
(3S,4R)-1-(furan-2-carbonyl)-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93148822
(3S,4R)-N-cyclopropyl-1-(furan-2-carbonyl)-4-phenylpyrrolidine-3-carboxamide
CID 93148434
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
(3S,4R)-1-benzoyl-4-(3-fluorophenyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 93152505
1-(4-fluorobenzoyl)-N-propan-2-yl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42826294
(3S,4R)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-3-carboxamide
CID 93152281
3-(4-fluorophenyl)-N-propan-2-yl-4-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbothioamide
CID 42827107
1-(furan-2-carbonyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829633

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 42680934) is 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)NC(=O)C1CN(C(=O)c2ccco2)CC1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is BWVQVIVBMTVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12(2)21-18(23)16-11-22(19(24)17-4-3-9-25-17)10-15(16)13-5-7-14(20)8-6-13/h3-9,12,15-16H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(furan-2-carbonyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42680934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).