N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide

C23H26ClN3O3 — CID 55676128

IUPACN-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C23H26ClN3O3/c1-3-15(2)21(26-22(29)16-8-5-4-6-9-16)23(30)25-19-14-17(11-12-18(19)24)27-13-7-10-20(27)28/h4-6,8-9,11-12,14-15,21H,3,7,10,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyUUBXSXUYAOLJAN-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.25
Rot. Bonds7

About N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 55676128) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID55676128
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC NameN-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C23H26ClN3O3/c1-3-15(2)21(26-22(29)16-8-5-4-6-9-16)23(30)25-19-14-17(11-12-18(19)24)27-13-7-10-20(27)28/h4-6,8-9,11-12,14-15,21H,3,7,10,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyUUBXSXUYAOLJAN-UHFFFAOYSA-N
XLogP4.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 55676128) is N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl.
What is the InChIKey of N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is UUBXSXUYAOLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-3-15(2)21(26-22(29)16-8-5-4-6-9-16)23(30)25-19-14-17(11-12-18(19)24)27-13-7-10-20(27)28/h4-6,8-9,11-12,14-15,21H,3,7,10,13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 427.93 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 55676128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).