N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide

C17H23ClFN3O — CID 166185461

IUPACN-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Cl)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H23ClFN3O/c1-12(17(23)20-16-5-4-13(19)10-15(16)18)22-9-6-14(11-22)21-7-2-3-8-21/h4-5,10,12,14H,2-3,6-9,11H2,1H3,(H,20,23)
InChIKeyAFBOFFWNNVSIDY-UHFFFAOYSA-N
MW339.84 g/mol
LogP2.98
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide

N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide (PubChem CID 166185461) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide
PubChem CID166185461
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Cl)N1CCC(N2CCCC2)C1
InChIInChI=1S/C17H23ClFN3O/c1-12(17(23)20-16-5-4-13(19)10-15(16)18)22-9-6-14(11-22)21-7-2-3-8-21/h4-5,10,12,14H,2-3,6-9,11H2,1H3,(H,20,23)
InChIKeyAFBOFFWNNVSIDY-UHFFFAOYSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
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N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
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N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
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N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
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(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)propanamide
CID 30723498
(2R)-N-(2-chloro-4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774044
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 27154894
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904101
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide (CID 166185461) is N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide is CC(C(=O)Nc1ccc(F)cc1Cl)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide?
The InChIKey is AFBOFFWNNVSIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O/c1-12(17(23)20-16-5-4-13(19)10-15(16)18)22-9-6-14(11-22)21-7-2-3-8-21/h4-5,10,12,14H,2-3,6-9,11H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide?
N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide has a molecular weight of 339.84 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 166185461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).