4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide

C18H15Cl3N2O2 — CID 94872752

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C18H15Cl3N2O2/c19-13-8-15(21)16(9-14(13)20)22-18(25)12-5-3-11(4-6-12)10-23-7-1-2-17(23)24/h3-6,8-9H,1-2,7,10H2,(H,22,25)
InChIKeyXVHKSPPBZZMAIF-UHFFFAOYSA-N
MW397.69 g/mol
LogP5.02
Rot. Bonds4

About 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide

4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide (PubChem CID 94872752) has the molecular formula C18H15Cl3N2O2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
PubChem CID94872752
Molecular FormulaC18H15Cl3N2O2
Molecular Weight397.69 g/mol
Exact Mass396.02
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C18H15Cl3N2O2/c19-13-8-15(21)16(9-14(13)20)22-18(25)12-5-3-11(4-6-12)10-23-7-1-2-17(23)24/h3-6,8-9H,1-2,7,10H2,(H,22,25)
InChIKeyXVHKSPPBZZMAIF-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 18124216
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 32760714
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55379495
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24614256
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
N-(5-methyl-1H-pyrazol-4-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 71935838
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide (CID 94872752) is 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide?
The InChIKey is XVHKSPPBZZMAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O2/c19-13-8-15(21)16(9-14(13)20)22-18(25)12-5-3-11(4-6-12)10-23-7-1-2-17(23)24/h3-6,8-9H,1-2,7,10H2,(H,22,25).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide?
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide has a molecular weight of 397.69 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 94872752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).