N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

C17H23FN2O2 — CID 170578293

IUPACN-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1CCCC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C17H23FN2O2/c1-12(2)9-16(21)20-8-4-7-15(20)17(22)19-11-13-5-3-6-14(18)10-13/h3,5-6,10,12,15H,4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyKANPYFWDWFQUPB-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.48
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 170578293) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID170578293
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1CCCC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C17H23FN2O2/c1-12(2)9-16(21)20-8-4-7-15(20)17(22)19-11-13-5-3-6-14(18)10-13/h3,5-6,10,12,15H,4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyKANPYFWDWFQUPB-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385869
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
(2R)-1-[2-(3-fluorophenyl)acetyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95282764
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969846
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
(2S)-1-[(3-fluorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxylic acid
CID 87886541
(2R)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95273896
(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (CID 170578293) is N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is CC(C)CC(=O)N1CCCC1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is KANPYFWDWFQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(2)9-16(21)20-8-4-7-15(20)17(22)19-11-13-5-3-6-14(18)10-13/h3,5-6,10,12,15H,4,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 170578293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).