4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

C21H21ClN4O3 — CID 166216311

IUPAC4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C21H21ClN4O3/c22-17-7-6-15(12-18(17)26-10-8-23-21(26)29)20(28)24-13-14-3-1-4-16(11-14)25-9-2-5-19(25)27/h1,3-4,6-7,11-12H,2,5,8-10,13H2,(H,23,29)(H,24,28)
InChIKeyOLJKXGYBHFAACT-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.93
Rot. Bonds5

About 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide

4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (PubChem CID 166216311) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
PubChem CID166216311
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C21H21ClN4O3/c22-17-7-6-15(12-18(17)26-10-8-23-21(26)29)20(28)24-13-14-3-1-4-16(11-14)25-9-2-5-19(25)27/h1,3-4,6-7,11-12H,2,5,8-10,13H2,(H,23,29)(H,24,28)
InChIKeyOLJKXGYBHFAACT-UHFFFAOYSA-N
XLogP2.93
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
CID 39003243
4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 55688323
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
3-(cyclopentylsulfamoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39517268
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide (CID 166216311) is 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(Cl)c(N2CCNC2=O)c1.
What is the InChIKey of 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is OLJKXGYBHFAACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-17-7-6-15(12-18(17)26-10-8-23-21(26)29)20(28)24-13-14-3-1-4-16(11-14)25-9-2-5-19(25)27/h1,3-4,6-7,11-12H,2,5,8-10,13H2,(H,23,29)(H,24,28).
What are the key properties of 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide?
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 412.88 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-oxoimidazolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 166216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).