N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide

C19H23FN2OS — CID 86953469

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(C2CCCN2C(C)C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C19H23FN2OS/c1-13-5-10-18(24-13)17-4-3-11-22(17)14(2)19(23)21-12-15-6-8-16(20)9-7-15/h5-10,14,17H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyHUIRWVAMQJDRRZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.04
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide

N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 86953469) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID86953469
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(C2CCCN2C(C)C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C19H23FN2OS/c1-13-5-10-18(24-13)17-4-3-11-22(17)14(2)19(23)21-12-15-6-8-16(20)9-7-15/h5-10,14,17H,3-4,11-12H2,1-2H3,(H,21,23)
InChIKeyHUIRWVAMQJDRRZ-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46646494
N-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)propanamide
CID 47055897
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314664
4-(4-fluorophenoxy)-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]butan-1-one
CID 86952883
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
N-[(4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 113004243
(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 41367549
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide (CID 86953469) is N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide is Cc1ccc(C2CCCN2C(C)C(=O)NCc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is HUIRWVAMQJDRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-13-5-10-18(24-13)17-4-3-11-22(17)14(2)19(23)21-12-15-6-8-16(20)9-7-15/h5-10,14,17H,3-4,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 86953469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).