4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride

C20H30Cl2N2O2 — CID 18755031

IUPAC4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride
SMILESCCC(CC)N1CCC(N(C)C(=O)CCC(=O)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C20H29ClN2O2.ClH/c1-4-17(5-2)23-13-12-18(14-23)22(3)20(25)11-10-19(24)15-6-8-16(21)9-7-15;/h6-9,17-18H,4-5,10-14H2,1-3H3;1H
InChIKeyLMDQJXODBCKJRO-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.45
Rot. Bonds8

About 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride

4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride (PubChem CID 18755031) has the molecular formula C20H30Cl2N2O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride
PubChem CID18755031
Molecular FormulaC20H30Cl2N2O2
Molecular Weight401.38 g/mol
Exact Mass400.17
IUPAC Name4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride
SMILESCCC(CC)N1CCC(N(C)C(=O)CCC(=O)c2ccc(Cl)cc2)C1.Cl
InChIInChI=1S/C20H29ClN2O2.ClH/c1-4-17(5-2)23-13-12-18(14-23)22(3)20(25)11-10-19(24)15-6-8-16(21)9-7-15;/h6-9,17-18H,4-5,10-14H2,1-3H3;1H
InChIKeyLMDQJXODBCKJRO-UHFFFAOYSA-N
XLogP4.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride (CID 18755031) is 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride is CCC(CC)N1CCC(N(C)C(=O)CCC(=O)c2ccc(Cl)cc2)C1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride?
The InChIKey is LMDQJXODBCKJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2.ClH/c1-4-17(5-2)23-13-12-18(14-23)22(3)20(25)11-10-19(24)15-6-8-16(21)9-7-15;/h6-9,17-18H,4-5,10-14H2,1-3H3;1H.
What are the key properties of 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride?
4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride has a molecular weight of 401.38 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methyl-4-oxo-N-(1-pentan-3-ylpyrrolidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 18755031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).