3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide

C16H23FN2O2 — CID 118792832

IUPAC3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-10(2)19-8-14(15(9-19)21-4)18-16(20)12-6-5-11(3)13(17)7-12/h5-7,10,14-15H,8-9H2,1-4H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyXVIMOQHXMFQMLK-GJZGRUSLSA-N
MW294.37 g/mol
LogP1.97
Rot. Bonds4

About 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide

3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide (PubChem CID 118792832) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide
PubChem CID118792832
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-10(2)19-8-14(15(9-19)21-4)18-16(20)12-6-5-11(3)13(17)7-12/h5-7,10,14-15H,8-9H2,1-4H3,(H,18,20)/t14-,15-/m0/s1
InChIKeyXVIMOQHXMFQMLK-GJZGRUSLSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 91841146
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 118784158
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(1,3-thiazol-2-yl)benzamide
CID 118782906
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
CID 70765038
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
5-[(3-fluoro-4-methylbenzoyl)amino]-N-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 171144674
1-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea
CID 72886030
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide (CID 118792832) is 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide?
The InChIKey is XVIMOQHXMFQMLK-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(2)19-8-14(15(9-19)21-4)18-16(20)12-6-5-11(3)13(17)7-12/h5-7,10,14-15H,8-9H2,1-4H3,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide?
3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide has a molecular weight of 294.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 118792832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).