methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate

C19H19FN2O3 — CID 96534417

IUPACmethyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)N1CC[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C19H19FN2O3/c1-25-19(24)21-17-8-3-2-7-16(17)18(23)22-10-9-14(12-22)13-5-4-6-15(20)11-13/h2-8,11,14H,9-10,12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyRVVNAXXSSAUMNL-AWEZNQCLSA-N
MW342.37 g/mol
LogP3.63
Rot. Bonds3

About methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate

methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate (PubChem CID 96534417) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
PubChem CID96534417
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Namemethyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)N1CC[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C19H19FN2O3/c1-25-19(24)21-17-8-3-2-7-16(17)18(23)22-10-9-14(12-22)13-5-4-6-15(20)11-13/h2-8,11,14H,9-10,12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyRVVNAXXSSAUMNL-AWEZNQCLSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903884
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
CID 43903864
(2-bromo-5-fluorophenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62070029
(2-fluoro-4-methylphenyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 79783331
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903885
1-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95598407
2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903889
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 43903957

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
The IUPAC name of methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate (CID 96534417) is methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate is COC(=O)Nc1ccccc1C(=O)N1CC[C@H](c2cccc(F)c2)C1.
What is the InChIKey of methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
The InChIKey is RVVNAXXSSAUMNL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-19(24)21-17-8-3-2-7-16(17)18(23)22-10-9-14(12-22)13-5-4-6-15(20)11-13/h2-8,11,14H,9-10,12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate?
methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate has a molecular weight of 342.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(3R)-3-(3-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 96534417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).