N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide

C17H21FN2O2 — CID 7255350

IUPACN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1
InChIInChI=1S/C17H21FN2O2/c18-13-7-4-8-15(9-13)20-11-14(10-16(20)21)19-17(22)12-5-2-1-3-6-12/h4,7-9,12,14H,1-3,5-6,10-11H2,(H,19,22)/t14-/m1/s1
InChIKeyHSKYZHOTAHNTFH-CQSZACIVSA-N
MW304.36 g/mol
LogP2.63
Rot. Bonds3

About N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide

N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 7255350) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID7255350
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC NameN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1
InChIInChI=1S/C17H21FN2O2/c18-13-7-4-8-15(9-13)20-11-14(10-16(20)21)19-17(22)12-5-2-1-3-6-12/h4,7-9,12,14H,1-3,5-6,10-11H2,(H,19,22)/t14-/m1/s1
InChIKeyHSKYZHOTAHNTFH-CQSZACIVSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255351
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cycloheptanecarboxamide
CID 45189442
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]cyclopentanecarboxamide
CID 45202640
1-(4-fluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547338
1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide (CID 7255350) is N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide is O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)C1CCCCC1.
What is the InChIKey of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is HSKYZHOTAHNTFH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-13-7-4-8-15(9-13)20-11-14(10-16(20)21)19-17(22)12-5-2-1-3-6-12/h4,7-9,12,14H,1-3,5-6,10-11H2,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide?
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 304.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 7255350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).