N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide

C19H24ClFN2O2 — CID 70707420

IUPACN-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H24ClFN2O2/c1-2-17(24)22-11-16-10-15(21)12-23(16)18(25)19(8-3-9-19)13-4-6-14(20)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyZMTYBNHCXLWBDH-HOTGVXAUSA-N
MW366.86 g/mol
LogP3.23
Rot. Bonds5

About N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide

N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide (PubChem CID 70707420) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide
PubChem CID70707420
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC NameN-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H24ClFN2O2/c1-2-17(24)22-11-16-10-15(21)12-23(16)18(25)19(8-3-9-19)13-4-6-14(20)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyZMTYBNHCXLWBDH-HOTGVXAUSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide with MolForge

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Related Compounds

[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
(2S,4R)-4-amino-1-[1-(4-chlorophenyl)cyclohexanecarbonyl]-N-methylpyrrolidine-2-carboxamide
CID 70708310
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 16528438
(3S)-N-benzyl-3-[[2-[(2R,4R)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]acetyl]amino]-2-oxohexanamide
CID 153157732
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
[1-(4-chlorophenyl)cyclopropyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 11695010
[2-(ethylamino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566919
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide (CID 70707420) is N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide is CCC(=O)NC[C@@H]1C[C@H](F)CN1C(=O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide?
The InChIKey is ZMTYBNHCXLWBDH-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c1-2-17(24)22-11-16-10-15(21)12-23(16)18(25)19(8-3-9-19)13-4-6-14(20)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide?
N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide has a molecular weight of 366.86 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]-4-fluoropyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 70707420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).