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

C15H19ClN2O3 — CID 102788938

IUPAC4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
SMILESCC1CCN(CC(=O)NC(=O)c2ccc(Cl)cc2)C1CO
InChIInChI=1S/C15H19ClN2O3/c1-10-6-7-18(13(10)9-19)8-14(20)17-15(21)11-2-4-12(16)5-3-11/h2-5,10,13,19H,6-9H2,1H3,(H,17,20,21)
InChIKeyBWOOYNHVAADCBQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.30
Rot. Bonds4

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

4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide (PubChem CID 102788938) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
PubChem CID102788938
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide
SMILESCC1CCN(CC(=O)NC(=O)c2ccc(Cl)cc2)C1CO
InChIInChI=1S/C15H19ClN2O3/c1-10-6-7-18(13(10)9-19)8-14(20)17-15(21)11-2-4-12(16)5-3-11/h2-5,10,13,19H,6-9H2,1H3,(H,17,20,21)
InChIKeyBWOOYNHVAADCBQ-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]acetyl]benzamide
CID 79031490
N-(2,6-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788937
1-(3,4-dihydroxyphenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782568
N-[2-(3-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787766
N-(4-bromo-2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788356
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
1-(2-chlorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782389
N-(2,4-difluorophenyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102787690
N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102788769
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 102788580
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948
N-[2-[(3R)-3-aminopiperidin-1-yl]acetyl]-4-chlorobenzamide
CID 102985314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide (CID 102788938) is 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide is CC1CCN(CC(=O)NC(=O)c2ccc(Cl)cc2)C1CO.
What is the InChIKey of 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide?
The InChIKey is BWOOYNHVAADCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-6-7-18(13(10)9-19)8-14(20)17-15(21)11-2-4-12(16)5-3-11/h2-5,10,13,19H,6-9H2,1H3,(H,17,20,21).
What are the key properties of 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide?
4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetyl]benzamide is sourced from PubChem (CID 102788938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).