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

C25H22Cl2N2O2 — CID 47020894

IUPAC2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C25H22Cl2N2O2/c26-20-11-12-23(27)22(14-20)25(31)28-15-19-4-1-2-5-21(19)18-9-7-17(8-10-18)16-29-13-3-6-24(29)30/h1-2,4-5,7-12,14H,3,6,13,15-16H2,(H,28,31)
InChIKeyYRBKXHBESCHHNG-UHFFFAOYSA-N
MW453.37 g/mol
LogP5.71
Rot. Bonds6

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

2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide (PubChem CID 47020894) has the molecular formula C25H22Cl2N2O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
PubChem CID47020894
Molecular FormulaC25H22Cl2N2O2
Molecular Weight453.37 g/mol
Exact Mass452.11
IUPAC Name2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C25H22Cl2N2O2/c26-20-11-12-23(27)22(14-20)25(31)28-15-19-4-1-2-5-21(19)18-9-7-17(8-10-18)16-29-13-3-6-24(29)30/h1-2,4-5,7-12,14H,3,6,13,15-16H2,(H,28,31)
InChIKeyYRBKXHBESCHHNG-UHFFFAOYSA-N
XLogP5.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]phenyl]methyl]pyrrolidin-2-one
CID 51113304
3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656984
2,3,5-trichloro-6-hydroxy-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 112821181
N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide
CID 167821614
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656982
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55715224
1-(3-chlorophenyl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 39410534
1-ethyl-3-[(2-ethylphenyl)methyl]-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635443
1-[3-(2,4-dichlorophenyl)propyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111720444
1-[(3-chlorophenyl)methyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111176415
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide (CID 47020894) is 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide is O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide?
The InChIKey is YRBKXHBESCHHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2/c26-20-11-12-23(27)22(14-20)25(31)28-15-19-4-1-2-5-21(19)18-9-7-17(8-10-18)16-29-13-3-6-24(29)30/h1-2,4-5,7-12,14H,3,6,13,15-16H2,(H,28,31).
What are the key properties of 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide?
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide has a molecular weight of 453.37 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide is sourced from PubChem (CID 47020894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).