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

C18H25FN2O2 — CID 170385869

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1CCCC1C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-12(2)10-17(22)21-9-5-8-16(21)18(23)20-13(3)14-6-4-7-15(19)11-14/h4,6-7,11-13,16H,5,8-10H2,1-3H3,(H,20,23)/t13-,16?/m0/s1
InChIKeyQFGIBSOFEFSCRA-KNVGNIICSA-N
MW320.41 g/mol
LogP3.04
Rot. Bonds5

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

N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (PubChem CID 170385869) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
PubChem CID170385869
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)CC(=O)N1CCCC1C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O2/c1-12(2)10-17(22)21-9-5-8-16(21)18(23)20-13(3)14-6-4-7-15(19)11-14/h4,6-7,11-13,16H,5,8-10H2,1-3H3,(H,20,23)/t13-,16?/m0/s1
InChIKeyQFGIBSOFEFSCRA-KNVGNIICSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
(2R)-1-[(3S)-3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124688312
(2S)-1-[3-(3-fluorophenyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119365695
ethane;N-[1-(4-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide;3-methyl-1,2-oxazole
CID 170578308
N-[1-[4-(3-chloro-1-methylpyrazol-5-yl)-3-fluorophenyl]ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177029067
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
N-[(4-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170385944
N-[1-(3-acetamidophenyl)ethyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47722251
N-[1-[4-(3-chloro-1-methylpyrazol-5-yl)phenyl]ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177028979
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)butan-1-one
CID 119632279
3-(3-fluorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119649913

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide (CID 170385869) is N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is CC(C)CC(=O)N1CCCC1C(=O)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
The InChIKey is QFGIBSOFEFSCRA-KNVGNIICSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12(2)10-17(22)21-9-5-8-16(21)18(23)20-13(3)14-6-4-7-15(19)11-14/h4,6-7,11-13,16H,5,8-10H2,1-3H3,(H,20,23)/t13-,16?/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 170385869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).