N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H18ClN5O2 — CID 24603747

IUPACN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H18ClN5O2/c21-17-10-16(7-8-18(17)26-9-1-2-19(26)27)24-20(28)15-5-3-14(4-6-15)11-25-13-22-12-23-25/h3-8,10,12-13H,1-2,9,11H2,(H,24,28)
InChIKeyMYIMBYAILOSELM-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.36
Rot. Bonds5

About N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24603747) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24603747
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H18ClN5O2/c21-17-10-16(7-8-18(17)26-9-1-2-19(26)27)24-20(28)15-5-3-14(4-6-15)11-25-13-22-12-23-25/h3-8,10,12-13H,1-2,9,11H2,(H,24,28)
InChIKeyMYIMBYAILOSELM-UHFFFAOYSA-N
XLogP3.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
1-benzyl-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24625383
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 100586215
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[(3,4-dimethylphenyl)sulfonylamino]benzamide
CID 46699695
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]quinoxaline-2-carboxamide
CID 17452256
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 16603036
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46692737
4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24603747) is N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is MYIMBYAILOSELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-17-10-16(7-8-18(17)26-9-1-2-19(26)27)24-20(28)15-5-3-14(4-6-15)11-25-13-22-12-23-25/h3-8,10,12-13H,1-2,9,11H2,(H,24,28).
What are the key properties of N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 395.85 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24603747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).