2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

C14H17ClN2O3 — CID 61411188

IUPAC2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC1CO)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-12-6-2-1-5-11(12)14(20)16-8-13(19)17-7-3-4-10(17)9-18/h1-2,5-6,10,18H,3-4,7-9H2,(H,16,20)
InChIKeyHZTSATJEAAYKQF-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.05
Rot. Bonds4

About 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 61411188) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID61411188
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCCC1CO)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-12-6-2-1-5-11(12)14(20)16-8-13(19)17-7-3-4-10(17)9-18/h1-2,5-6,10,18H,3-4,7-9H2,(H,16,20)
InChIKeyHZTSATJEAAYKQF-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 ≤ 103

Analyze 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]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

2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 43421664
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
4-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411306
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61409223
2-(2,6-dichlorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260583
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 51338008
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
N-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79030355

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 61411188) is 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCCC1CO)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is HZTSATJEAAYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-6-2-1-5-11(12)14(20)16-8-13(19)17-7-3-4-10(17)9-18/h1-2,5-6,10,18H,3-4,7-9H2,(H,16,20).
What are the key properties of 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 296.75 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 61411188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).