(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate

C19H17FN2O4 — CID 7367044

IUPAC(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
SMILESO=C(NN1C[C@H](C(=O)OCc2ccccc2F)CC1=O)c1ccccc1
InChIInChI=1S/C19H17FN2O4/c20-16-9-5-4-8-14(16)12-26-19(25)15-10-17(23)22(11-15)21-18(24)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,21,24)/t15-/m1/s1
InChIKeyCHQKUHMKGAVXRT-OAHLLOKOSA-N
MW356.35 g/mol
LogP2.06
Rot. Bonds5

About (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate

(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate (PubChem CID 7367044) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
PubChem CID7367044
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
SMILESO=C(NN1C[C@H](C(=O)OCc2ccccc2F)CC1=O)c1ccccc1
InChIInChI=1S/C19H17FN2O4/c20-16-9-5-4-8-14(16)12-26-19(25)15-10-17(23)22(11-15)21-18(24)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,21,24)/t15-/m1/s1
InChIKeyCHQKUHMKGAVXRT-OAHLLOKOSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenacyl 1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 4272230
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 7281656
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579099
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579100
[2-(3,5-dimethylanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166626
[2-(4-chlorophenyl)-2-oxoethyl] (3R)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 40878074
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166677
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 9166701
[2-(4-bromo-2-methylanilino)-2-oxoethyl] (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate
CID 124579296
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 7281777
[2-(2-ethylanilino)-2-oxoethyl] (3R)-1-[(4-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 9169237
[2-(2-methylanilino)-2-oxoethyl] (3S)-1-[(4-chlorobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate
CID 124580701

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate (CID 7367044) is (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate is O=C(NN1C[C@H](C(=O)OCc2ccccc2F)CC1=O)c1ccccc1.
What is the InChIKey of (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CHQKUHMKGAVXRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-16-9-5-4-8-14(16)12-26-19(25)15-10-17(23)22(11-15)21-18(24)13-6-2-1-3-7-13/h1-9,15H,10-12H2,(H,21,24)/t15-/m1/s1.
What are the key properties of (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate?
(2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate has a molecular weight of 356.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (3R)-1-benzamido-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7367044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).