1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide

C17H23FN2O4 — CID 154755288

IUPAC1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)N1CCC(F)(C(N)=O)C1
InChIInChI=1S/C17H23FN2O4/c1-2-23-13-6-3-4-7-14(13)24-11-5-8-15(21)20-10-9-17(18,12-20)16(19)22/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,22)
InChIKeyHMGNMLSBCMVLPU-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.67
Rot. Bonds8

About 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide

1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide (PubChem CID 154755288) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide
PubChem CID154755288
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)N1CCC(F)(C(N)=O)C1
InChIInChI=1S/C17H23FN2O4/c1-2-23-13-6-3-4-7-14(13)24-11-5-8-15(21)20-10-9-17(18,12-20)16(19)22/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,22)
InChIKeyHMGNMLSBCMVLPU-UHFFFAOYSA-N
XLogP1.67
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one;hydrochloride
CID 120810370
3-fluoro-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258328
4-(2-ethoxyphenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 112765521
1-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 55548555
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
3-fluoro-1-[4-(3-fluorophenoxy)butanoyl]pyrrolidine-3-carboxylic acid
CID 119257990
1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 26369913
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one;hydrochloride
CID 120808590
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-4-(2-ethoxyphenoxy)butan-1-one
CID 55956860
3-fluoro-1-[3-(2-methoxyphenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258794
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-3-(2-fluorophenoxy)propan-1-one
CID 3808183
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide (CID 154755288) is 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide is CCOc1ccccc1OCCCC(=O)N1CCC(F)(C(N)=O)C1.
What is the InChIKey of 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide?
The InChIKey is HMGNMLSBCMVLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-2-23-13-6-3-4-7-14(13)24-11-5-8-15(21)20-10-9-17(18,12-20)16(19)22/h3-4,6-7H,2,5,8-12H2,1H3,(H2,19,22).
What are the key properties of 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide?
1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenoxy)butanoyl]-3-fluoropyrrolidine-3-carboxamide is sourced from PubChem (CID 154755288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).