4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride

C19H29ClFN3O2 — CID 154899341

IUPAC4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride
SMILESCNC(=O)CCN1C[C@H](NC(=O)c2ccc(F)cc2C)[C@@H](C(C)C)C1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-12(2)16-10-23(8-7-18(24)21-4)11-17(16)22-19(25)15-6-5-14(20)9-13(15)3;/h5-6,9,12,16-17H,7-8,10-11H2,1-4H3,(H,21,24)(H,22,25);1H/t16-,17+;/m1./s1
InChIKeyGEFRZQXQOYOHNN-PPPUBMIESA-N
MW385.91 g/mol
LogP2.38
Rot. Bonds6

About 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride

4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride (PubChem CID 154899341) has the molecular formula C19H29ClFN3O2 and a molecular weight of 385.91 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride
PubChem CID154899341
Molecular FormulaC19H29ClFN3O2
Molecular Weight385.91 g/mol
Exact Mass385.19
IUPAC Name4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride
SMILESCNC(=O)CCN1C[C@H](NC(=O)c2ccc(F)cc2C)[C@@H](C(C)C)C1.Cl
InChIInChI=1S/C19H28FN3O2.ClH/c1-12(2)16-10-23(8-7-18(24)21-4)11-17(16)22-19(25)15-6-5-14(20)9-13(15)3;/h5-6,9,12,16-17H,7-8,10-11H2,1-4H3,(H,21,24)(H,22,25);1H/t16-,17+;/m1./s1
InChIKeyGEFRZQXQOYOHNN-PPPUBMIESA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(3R,4S)-4-propan-2-yl-1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]propanamide;hydrochloride
CID 154898295
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
3-[(3S,4R)-3-[[5-(hydroxymethyl)furan-2-carbonyl]amino]-4-propan-2-ylpyrrolidin-1-yl]propanoic acid
CID 133131321
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 115745769
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
4-fluoro-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112702474
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
N-[(3R,4S)-1-(2-methylsulfonylethyl)-4-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154899022
4-fluoro-N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 136516441

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride?
The IUPAC name of 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride (CID 154899341) is 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride?
The canonical SMILES for 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride is CNC(=O)CCN1C[C@H](NC(=O)c2ccc(F)cc2C)[C@@H](C(C)C)C1.Cl.
What is the InChIKey of 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride?
The InChIKey is GEFRZQXQOYOHNN-PPPUBMIESA-N. The full InChI is InChI=1S/C19H28FN3O2.ClH/c1-12(2)16-10-23(8-7-18(24)21-4)11-17(16)22-19(25)15-6-5-14(20)9-13(15)3;/h5-6,9,12,16-17H,7-8,10-11H2,1-4H3,(H,21,24)(H,22,25);1H/t16-,17+;/m1./s1.
What are the key properties of 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride?
4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(3R,4S)-1-[3-(methylamino)-3-oxopropyl]-4-propan-2-ylpyrrolidin-3-yl]benzamide;hydrochloride is sourced from PubChem (CID 154899341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).