3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide

C16H23FN4O2 — CID 95296194

IUPAC3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN4O2/c1-20(2)15(22)8-10-21-9-7-14(11-21)19-16(23)18-13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3,(H2,18,19,23)/t14-/m0/s1
InChIKeyHIODVRGFFKZYCF-AWEZNQCLSA-N
MW322.38 g/mol
LogP1.50
Rot. Bonds5

About 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide

3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 95296194) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
PubChem CID95296194
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN4O2/c1-20(2)15(22)8-10-21-9-7-14(11-21)19-16(23)18-13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3,(H2,18,19,23)/t14-/m0/s1
InChIKeyHIODVRGFFKZYCF-AWEZNQCLSA-N
XLogP1.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 75515961
1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
CID 120899475
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 112841545
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 99838682
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 120751537
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
N-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110019679

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide (CID 95296194) is 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is HIODVRGFFKZYCF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-20(2)15(22)8-10-21-9-7-14(11-21)19-16(23)18-13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3,(H2,18,19,23)/t14-/m0/s1.
What are the key properties of 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide?
3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 322.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(4-fluorophenyl)carbamoylamino]pyrrolidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 95296194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).