N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide

C25H22ClN3O3 — CID 55466192

IUPACN-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C25H22ClN3O3/c26-19-11-13-20(14-12-19)27-25(32)21-4-1-2-5-22(21)28-24(31)18-9-7-17(8-10-18)16-29-15-3-6-23(29)30/h1-2,4-5,7-14H,3,6,15-16H2,(H,27,32)(H,28,31)
InChIKeyZFWDWJAEYRIDND-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.97
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide

N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 55466192) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID55466192
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C25H22ClN3O3/c26-19-11-13-20(14-12-19)27-25(32)21-4-1-2-5-22(21)28-24(31)18-9-7-17(8-10-18)16-29-15-3-6-23(29)30/h1-2,4-5,7-14H,3,6,15-16H2,(H,27,32)(H,28,31)
InChIKeyZFWDWJAEYRIDND-UHFFFAOYSA-N
XLogP4.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55380712
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 35203584
N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
ethyl 2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate
CID 28566722
N-(4-chlorophenyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 18728023
2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 51230616
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
CID 120541421

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide (CID 55466192) is N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide is O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is ZFWDWJAEYRIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c26-19-11-13-20(14-12-19)27-25(32)21-4-1-2-5-22(21)28-24(31)18-9-7-17(8-10-18)16-29-15-3-6-23(29)30/h1-2,4-5,7-14H,3,6,15-16H2,(H,27,32)(H,28,31).
What are the key properties of N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 447.92 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55466192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).