5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide

C17H16N2O2 — CID 136542533

IUPAC5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(-c3ccccc3)c2)CN1
InChIInChI=1S/C17H16N2O2/c20-16-10-14(11-18-16)17(21)19-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,18,20)(H,19,21)
InChIKeyVWKOCGTZDWDHCY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.43
Rot. Bonds3

About 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide

5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide (PubChem CID 136542533) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
PubChem CID136542533
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(-c3ccccc3)c2)CN1
InChIInChI=1S/C17H16N2O2/c20-16-10-14(11-18-16)17(21)19-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,18,20)(H,19,21)
InChIKeyVWKOCGTZDWDHCY-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
4-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 82889171
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982581
methyl 2-[3-[(5-oxopyrrolidine-3-carbonyl)amino]phenoxy]acetate
CID 78982577
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
N-[3-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982569
(3-phenylphenyl)carbamic acid
CID 611602
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981915

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide (CID 136542533) is 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cccc(-c3ccccc3)c2)CN1.
What is the InChIKey of 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VWKOCGTZDWDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-10-14(11-18-16)17(21)19-15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-9,14H,10-11H2,(H,18,20)(H,19,21).
What are the key properties of 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136542533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).