(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C19H17F2N3O3 — CID 92727107

IUPAC(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3)CC2=O)c1
InChIInChI=1S/C19H17F2N3O3/c1-11(25)22-13-3-2-4-15(8-13)24-10-12(7-18(24)26)19(27)23-14-5-6-16(20)17(21)9-14/h2-6,8-9,12H,7,10H2,1H3,(H,22,25)(H,23,27)/t12-/m0/s1
InChIKeyCUVVLYZEJZDSLK-LBPRGKRZSA-N
MW373.36 g/mol
LogP2.91
Rot. Bonds4

About (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727107) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92727107
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3)CC2=O)c1
InChIInChI=1S/C19H17F2N3O3/c1-11(25)22-13-3-2-4-15(8-13)24-10-12(7-18(24)26)19(27)23-14-5-6-16(20)17(21)9-14/h2-6,8-9,12H,7,10H2,1H3,(H,22,25)(H,23,27)/t12-/m0/s1
InChIKeyCUVVLYZEJZDSLK-LBPRGKRZSA-N
XLogP2.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947590
N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46553483

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 92727107) is (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)c(F)c3)CC2=O)c1.
What is the InChIKey of (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CUVVLYZEJZDSLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-11(25)22-13-3-2-4-15(8-13)24-10-12(7-18(24)26)19(27)23-14-5-6-16(20)17(21)9-14/h2-6,8-9,12H,7,10H2,1H3,(H,22,25)(H,23,27)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).