4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide

C14H17ClN2O3 — CID 103358091

IUPAC4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
SMILESCC1(O)CCN(CC(=O)NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O3/c1-14(20)6-7-17(9-14)8-12(18)16-13(19)10-2-4-11(15)5-3-10/h2-5,20H,6-9H2,1H3,(H,16,18,19)
InChIKeySNAHZFBDYDRGKJ-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.05
Rot. Bonds3

About 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide

4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide (PubChem CID 103358091) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
PubChem CID103358091
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
SMILESCC1(O)CCN(CC(=O)NC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O3/c1-14(20)6-7-17(9-14)8-12(18)16-13(19)10-2-4-11(15)5-3-10/h2-5,20H,6-9H2,1H3,(H,16,18,19)
InChIKeySNAHZFBDYDRGKJ-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
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
methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
CID 79031490
N-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728541
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103729347
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-4-chlorobenzamide
CID 102985314
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 107324258
N-[(2-fluorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide (CID 103358091) is 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide is CC1(O)CCN(CC(=O)NC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide?
The InChIKey is SNAHZFBDYDRGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(20)6-7-17(9-14)8-12(18)16-13(19)10-2-4-11(15)5-3-10/h2-5,20H,6-9H2,1H3,(H,16,18,19).
What are the key properties of 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide?
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide has a molecular weight of 296.75 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide is sourced from PubChem (CID 103358091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).