N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide

C25H23ClN2O2 — CID 4986891

IUPACN-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
SMILESO=C1CCCN1CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN2O2/c26-22-8-4-9-23(17-22)28(18-27-15-5-10-24(27)29)25(30)16-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-4,6-9,11-14,17H,5,10,15-16,18H2
InChIKeyJXFBZUDVWGJECF-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.16
Rot. Bonds6

About N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide

N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide (PubChem CID 4986891) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
PubChem CID4986891
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC NameN-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide
SMILESO=C1CCCN1CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C25H23ClN2O2/c26-22-8-4-9-23(17-22)28(18-27-15-5-10-24(27)29)25(30)16-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-4,6-9,11-14,17H,5,10,15-16,18H2
InChIKeyJXFBZUDVWGJECF-UHFFFAOYSA-N
XLogP5.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3644568
N-[(2-oxopyrrolidin-1-yl)methyl]-N,4-diphenylbenzamide
CID 4682478
4-[(2-oxopyrrolidin-1-yl)methyl-(2-phenylacetyl)amino]benzamide
CID 5179253
5-chloro-N-(3-chlorophenyl)-2-methoxy-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4582519
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
CID 5051528
2-(3-chloro-N-(2-phenylacetyl)anilino)acetic acid
CID 28765730
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3469844
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
N-(3-chloro-4-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(trifluoromethyl)benzamide
CID 4175486

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide (CID 4986891) is N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide is O=C1CCCN1CN(C(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is JXFBZUDVWGJECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c26-22-8-4-9-23(17-22)28(18-27-15-5-10-24(27)29)25(30)16-19-11-13-21(14-12-19)20-6-2-1-3-7-20/h1-4,6-9,11-14,17H,5,10,15-16,18H2.
What are the key properties of N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide?
N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 418.92 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 4986891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).