3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

C12H15ClN2O2 — CID 62539853

IUPAC3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-10-6-8(3-4-11(10)16)12(17)15-7-9-2-1-5-14-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17)
InChIKeyDYAROOXOHLESLK-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.53
Rot. Bonds3

About 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide

3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 62539853) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID62539853
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H15ClN2O2/c13-10-6-8(3-4-11(10)16)12(17)15-7-9-2-1-5-14-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17)
InChIKeyDYAROOXOHLESLK-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)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

3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
CID 107990193
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
3-chloro-4-hydroxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611749
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
3-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxybenzamide
CID 81040556
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
N-butyl-3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612283
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-hydroxy-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-4-carboxamide
CID 62541095
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 62539853) is 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is DYAROOXOHLESLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-6-8(3-4-11(10)16)12(17)15-7-9-2-1-5-14-9/h3-4,6,9,14,16H,1-2,5,7H2,(H,15,17).
What are the key properties of 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide?
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 254.72 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 62539853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).