N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

C14H19ClN2O2 — CID 103728803

IUPACN-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCC1(O)CCN(CC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(19)6-7-17(10-14)9-13(18)16-8-11-2-4-12(15)5-3-11/h2-5,19H,6-10H2,1H3,(H,16,18)
InChIKeyNTXNKGRQBKOARM-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.41
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (PubChem CID 103728803) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
PubChem CID103728803
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCC1(O)CCN(CC(=O)NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(19)6-7-17(10-14)9-13(18)16-8-11-2-4-12(15)5-3-11/h2-5,19H,6-10H2,1H3,(H,16,18)
InChIKeyNTXNKGRQBKOARM-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120771662
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
N-[(2-fluorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728348
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874067
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
3-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148115
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728446
N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-2-phenylacetamide
CID 103358021
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (CID 103728803) is N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is CC1(O)CCN(CC(=O)NCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is NTXNKGRQBKOARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(19)6-7-17(10-14)9-13(18)16-8-11-2-4-12(15)5-3-11/h2-5,19H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103728803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).