4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide

C15H21ClN2O2 — CID 3079181

IUPAC4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide
SMILESNC(=O)C(CC(O)c1ccc(Cl)cc1)CN1CCCC1
InChIInChI=1S/C15H21ClN2O2/c16-13-5-3-11(4-6-13)14(19)9-12(15(17)20)10-18-7-1-2-8-18/h3-6,12,14,19H,1-2,7-10H2,(H2,17,20)
InChIKeyZLLBBRDYTZVAEZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.96
Rot. Bonds6

About 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide

4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide (PubChem CID 3079181) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide
PubChem CID3079181
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide
SMILESNC(=O)C(CC(O)c1ccc(Cl)cc1)CN1CCCC1
InChIInChI=1S/C15H21ClN2O2/c16-13-5-3-11(4-6-13)14(19)9-12(15(17)20)10-18-7-1-2-8-18/h3-6,12,14,19H,1-2,7-10H2,(H2,17,20)
InChIKeyZLLBBRDYTZVAEZ-UHFFFAOYSA-N
XLogP1.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide (CID 3079181) is 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide is NC(=O)C(CC(O)c1ccc(Cl)cc1)CN1CCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide?
The InChIKey is ZLLBBRDYTZVAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-13-5-3-11(4-6-13)14(19)9-12(15(17)20)10-18-7-1-2-8-18/h3-6,12,14,19H,1-2,7-10H2,(H2,17,20).
What are the key properties of 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide?
4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide has a molecular weight of 296.80 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)butanamide is sourced from PubChem (CID 3079181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).