N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide

C25H29ClN2O2 — CID 163623846

IUPACN-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C25H29ClN2O2/c26-23-16-20(24(29)27-17-18-7-3-1-4-8-18)12-11-19(23)15-21-13-14-28(25(21)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,16,21-22H,2,5-6,9-10,13-15,17H2,(H,27,29)
InChIKeyHQKHDOOFVQCEMS-UHFFFAOYSA-N
MW424.97 g/mol
LogP4.99
Rot. Bonds6

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

N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide (PubChem CID 163623846) has the molecular formula C25H29ClN2O2 and a molecular weight of 424.97 g/mol. Its IUPAC name is N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
PubChem CID163623846
Molecular FormulaC25H29ClN2O2
Molecular Weight424.97 g/mol
Exact Mass424.19
IUPAC NameN-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1
InChIInChI=1S/C25H29ClN2O2/c26-23-16-20(24(29)27-17-18-7-3-1-4-8-18)12-11-19(23)15-21-13-14-28(25(21)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,16,21-22H,2,5-6,9-10,13-15,17H2,(H,27,29)
InChIKeyHQKHDOOFVQCEMS-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide (CID 163623846) is N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide is O=C(NCc1ccccc1)c1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1.
What is the InChIKey of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
The InChIKey is HQKHDOOFVQCEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O2/c26-23-16-20(24(29)27-17-18-7-3-1-4-8-18)12-11-19(23)15-21-13-14-28(25(21)30)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,16,21-22H,2,5-6,9-10,13-15,17H2,(H,27,29).
What are the key properties of N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide?
N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide has a molecular weight of 424.97 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 163623846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).