(1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid

C18H22Cl2N2O3 — CID 69078413

IUPAC(1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid
SMILESO=C1C(N(Cc2c(Cl)cccc2Cl)C(=O)O)CCN1C1CCCCC1
InChIInChI=1S/C18H22Cl2N2O3/c19-14-7-4-8-15(20)13(14)11-22(18(24)25)16-9-10-21(17(16)23)12-5-2-1-3-6-12/h4,7-8,12,16H,1-3,5-6,9-11H2,(H,24,25)
InChIKeyGDFMPJBEXSCMBA-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.41
Rot. Bonds4

About (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid

(1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid (PubChem CID 69078413) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid.

Molecular Properties

Compound Name(1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid
PubChem CID69078413
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name(1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid
SMILESO=C1C(N(Cc2c(Cl)cccc2Cl)C(=O)O)CCN1C1CCCCC1
InChIInChI=1S/C18H22Cl2N2O3/c19-14-7-4-8-15(20)13(14)11-22(18(24)25)16-9-10-21(17(16)23)12-5-2-1-3-6-12/h4,7-8,12,16H,1-3,5-6,9-11H2,(H,24,25)
InChIKeyGDFMPJBEXSCMBA-UHFFFAOYSA-N
XLogP4.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid?
The IUPAC name of (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid (CID 69078413) is (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid.
What is the SMILES notation for (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid?
The canonical SMILES for (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid is O=C1C(N(Cc2c(Cl)cccc2Cl)C(=O)O)CCN1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid?
The InChIKey is GDFMPJBEXSCMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O3/c19-14-7-4-8-15(20)13(14)11-22(18(24)25)16-9-10-21(17(16)23)12-5-2-1-3-6-12/h4,7-8,12,16H,1-3,5-6,9-11H2,(H,24,25).
What are the key properties of (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid?
(1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid has a molecular weight of 385.29 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2-oxopyrrolidin-3-yl)-[(2,6-dichlorophenyl)methyl]carbamic acid is sourced from PubChem (CID 69078413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).