2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide

C19H29FN2O — CID 110312935

IUPAC2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(C)C(C(=O)NCC(C)(C)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O/c1-14(2)17(15-7-9-16(20)10-8-15)18(23)21-13-19(3,4)22-11-5-6-12-22/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,21,23)
InChIKeyFLKODSCDSSLJEF-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.56
Rot. Bonds6

About 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide

2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 110312935) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
PubChem CID110312935
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
SMILESCC(C)C(C(=O)NCC(C)(C)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C19H29FN2O/c1-14(2)17(15-7-9-16(20)10-8-15)18(23)21-13-19(3,4)22-11-5-6-12-22/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,21,23)
InChIKeyFLKODSCDSSLJEF-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110303185
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950
2-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-pyridin-2-ylpropanamide
CID 110303116
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 51164309
2-(4-fluorophenyl)-3-methyl-N-propylbutanamide
CID 110316805
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
1-[1-(4-fluorophenyl)ethyl]-1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51296603
N-cyclopentyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316813
5-(4-fluorophenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)furan-2-carboxamide
CID 55378466
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
(2S)-2-(4-fluorophenyl)-3-methylbutanoyl chloride
CID 56635830

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide (CID 110312935) is 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide is CC(C)C(C(=O)NCC(C)(C)N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is FLKODSCDSSLJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-14(2)17(15-7-9-16(20)10-8-15)18(23)21-13-19(3,4)22-11-5-6-12-22/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 320.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 110312935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).