(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide

C17H23FN2O2 — CID 92633544

IUPAC(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-12(21)20-9-8-13(10-20)16(22)19-11-17(2,3)14-4-6-15(18)7-5-14/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyRBYLKYOQBVPZBO-CYBMUJFWSA-N
MW306.38 g/mol
LogP2.09
Rot. Bonds4

About (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide

(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide (PubChem CID 92633544) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
PubChem CID92633544
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
SMILESCC(=O)N1CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O2/c1-12(21)20-9-8-13(10-20)16(22)19-11-17(2,3)14-4-6-15(18)7-5-14/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyRBYLKYOQBVPZBO-CYBMUJFWSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 110246572
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
1-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000719
(3R)-1-acetyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 94818335
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
ethyl 1-[N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156458
1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 72937364
N-(cyclopropylmethyl)-1-[2-(4-fluorophenyl)-2-methylpropanoyl]azetidine-3-carboxamide
CID 92634041
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428233
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
CID 104857306

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide (CID 92633544) is (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide is CC(=O)N1CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
The InChIKey is RBYLKYOQBVPZBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12(21)20-9-8-13(10-20)16(22)19-11-17(2,3)14-4-6-15(18)7-5-14/h4-7,13H,8-11H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide?
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).