(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide

C18H16F2N2O3 — CID 95327018

IUPAC(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)N1
InChIInChI=1S/C18H16F2N2O3/c19-12-3-1-2-11(8-12)10-25-16-6-4-13(9-14(16)20)21-18(24)15-5-7-17(23)22-15/h1-4,6,8-9,15H,5,7,10H2,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyWRLWYEZEZGMGFY-OAHLLOKOSA-N
MW346.33 g/mol
LogP2.76
Rot. Bonds5

About (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95327018) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95327018
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)N1
InChIInChI=1S/C18H16F2N2O3/c19-12-3-1-2-11(8-12)10-25-16-6-4-13(9-14(16)20)21-18(24)15-5-7-17(23)22-15/h1-4,6,8-9,15H,5,7,10H2,(H,21,24)(H,22,23)/t15-/m1/s1
InChIKeyWRLWYEZEZGMGFY-OAHLLOKOSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975940
2-(cyclopropylmethylamino)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 119773636
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(3R,5R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 136583840
(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95765039
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]but-3-ynamide
CID 167449564
N-[5-[(3-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 166073968
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119773627
N-(4-methoxy-3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110792509
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide (CID 95327018) is (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)Nc2ccc(OCc3cccc(F)c3)c(F)c2)N1.
What is the InChIKey of (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WRLWYEZEZGMGFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16F2N2O3/c19-12-3-1-2-11(8-12)10-25-16-6-4-13(9-14(16)20)21-18(24)15-5-7-17(23)22-15/h1-4,6,8-9,15H,5,7,10H2,(H,21,24)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95327018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).