N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide

C16H21FN2O — CID 97314178

IUPACN-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC[C@@H]1c1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O/c1-18(14-7-8-14)16(20)11-19-9-3-6-15(19)12-4-2-5-13(17)10-12/h2,4-5,10,14-15H,3,6-9,11H2,1H3/t15-/m1/s1
InChIKeyVCFQIMABXAFCDN-OAHLLOKOSA-N
MW276.35 g/mol
LogP2.58
Rot. Bonds4

About N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide

N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 97314178) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID97314178
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC NameN-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCN(C(=O)CN1CCC[C@@H]1c1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O/c1-18(14-7-8-14)16(20)11-19-9-3-6-15(19)12-4-2-5-13(17)10-12/h2,4-5,10,14-15H,3,6-9,11H2,1H3/t15-/m1/s1
InChIKeyVCFQIMABXAFCDN-OAHLLOKOSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-N-methylacetamide
CID 120756349
N-cyclohexyl-2-[2-(4-fluorophenyl)azetidin-1-yl]-N-methylacetamide
CID 91837284
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
1-[2-[2-(3-fluorophenyl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 56815905
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 71940009
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47078017
4-[[2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119930248
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
N-benzyl-N-cyclopropyl-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide
CID 120756533
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide (CID 97314178) is N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide is CN(C(=O)CN1CCC[C@@H]1c1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is VCFQIMABXAFCDN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-18(14-7-8-14)16(20)11-19-9-3-6-15(19)12-4-2-5-13(17)10-12/h2,4-5,10,14-15H,3,6-9,11H2,1H3/t15-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 276.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 97314178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).