(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C19H18F2N2O2 — CID 95318346

IUPAC(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)N1
InChIInChI=1S/C19H18F2N2O2/c20-14-5-1-3-12(9-14)10-17(13-4-2-6-15(21)11-13)23-19(25)16-7-8-18(24)22-16/h1-6,9,11,16-17H,7-8,10H2,(H,22,24)(H,23,25)/t16-,17-/m1/s1
InChIKeyGKASMAPCLAEMSD-IAGOWNOFSA-N
MW344.36 g/mol
LogP2.64
Rot. Bonds5

About (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95318346) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95318346
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)N1
InChIInChI=1S/C19H18F2N2O2/c20-14-5-1-3-12(9-14)10-17(13-4-2-6-15(21)11-13)23-19(25)16-7-8-18(24)22-16/h1-6,9,11,16-17H,7-8,10H2,(H,22,24)(H,23,25)/t16-,17-/m1/s1
InChIKeyGKASMAPCLAEMSD-IAGOWNOFSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
CID 95234220
2-[1,2-bis(3-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975659
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95327018
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
5-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809733
N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 49011755

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 95318346) is (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)N1.
What is the InChIKey of (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GKASMAPCLAEMSD-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-14-5-1-3-12(9-14)10-17(13-4-2-6-15(21)11-13)23-19(25)16-7-8-18(24)22-16/h1-6,9,11,16-17H,7-8,10H2,(H,22,24)(H,23,25)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95318346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).