(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide

C21H30FN3O2 — CID 129403478

IUPAC(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCOCC2)c1)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C21H30FN3O2/c22-17-13-18(15-19(14-17)24-9-11-27-12-10-24)23-21(26)25-8-4-7-20(25)16-5-2-1-3-6-16/h13-16,20H,1-12H2,(H,23,26)/t20-/m1/s1
InChIKeyCHDBFTHEPUURHA-HXUWFJFHSA-N
MW375.49 g/mol
LogP4.24
Rot. Bonds3

About (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide

(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 129403478) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID129403478
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(F)cc(N2CCOCC2)c1)N1CCC[C@@H]1C1CCCCC1
InChIInChI=1S/C21H30FN3O2/c22-17-13-18(15-19(14-17)24-9-11-27-12-10-24)23-21(26)25-8-4-7-20(25)16-5-2-1-3-6-16/h13-16,20H,1-12H2,(H,23,26)/t20-/m1/s1
InChIKeyCHDBFTHEPUURHA-HXUWFJFHSA-N
XLogP4.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 126768067
(2S)-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 122081452
1-[(3-fluoro-5-morpholin-4-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102256
1-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 119871802
2-amino-N-(3-fluoro-5-morpholin-4-ylphenyl)-2-(oxan-4-yl)acetamide
CID 120799542
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
(2R)-N-(3-chloro-5-fluorophenyl)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97057326
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119871807
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
N-(3-fluoro-5-morpholin-4-ylphenyl)morpholine-2-carboxamide;dihydrochloride
CID 119871805
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[[4-(3-fluorophenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 40972786

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide (CID 129403478) is (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide is O=C(Nc1cc(F)cc(N2CCOCC2)c1)N1CCC[C@@H]1C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is CHDBFTHEPUURHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-17-13-18(15-19(14-17)24-9-11-27-12-10-24)23-21(26)25-8-4-7-20(25)16-5-2-1-3-6-16/h13-16,20H,1-12H2,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide?
(2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-N-(3-fluoro-5-morpholin-4-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129403478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).