1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide

C15H18FN3O3 — CID 75592631

IUPAC1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3/c16-11-5-3-10(4-6-11)15(22)18-8-7-13(20)19-9-1-2-12(19)14(17)21/h3-6,12H,1-2,7-9H2,(H2,17,21)(H,18,22)
InChIKeyYAMBPZOWASLRED-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.42
Rot. Bonds5

About 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide

1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide (PubChem CID 75592631) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
PubChem CID75592631
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O3/c16-11-5-3-10(4-6-11)15(22)18-8-7-13(20)19-9-1-2-12(19)14(17)21/h3-6,12H,1-2,7-9H2,(H2,17,21)(H,18,22)
InChIKeyYAMBPZOWASLRED-UHFFFAOYSA-N
XLogP0.42
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]benzamide
CID 94460063
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
1-[3-[(4-nitrobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356395
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
1-[3-(furan-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355669
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
ethane;(2S)-1-[2-(4-fluoroanilino)acetyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 143897546
N-[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxopropyl]-4-chlorobenzamide
CID 26178024
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
1-[2-(4-carbamothioylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 63591025
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55965832

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide (CID 75592631) is 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is YAMBPZOWASLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c16-11-5-3-10(4-6-11)15(22)18-8-7-13(20)19-9-1-2-12(19)14(17)21/h3-6,12H,1-2,7-9H2,(H2,17,21)(H,18,22).
What are the key properties of 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide?
1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75592631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).