5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide

C13H17ClN2O2 — CID 114796482

IUPAC5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCCC1CCNC1
InChIInChI=1S/C13H17ClN2O2/c14-10-1-2-12(11(7-10)13(15)17)18-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,15,17)
InChIKeyZGGLSLIVSSMWKX-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.82
Rot. Bonds5

About 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide

5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide (PubChem CID 114796482) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
PubChem CID114796482
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCCC1CCNC1
InChIInChI=1S/C13H17ClN2O2/c14-10-1-2-12(11(7-10)13(15)17)18-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,15,17)
InChIKeyZGGLSLIVSSMWKX-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
CID 77106978
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
4-chloro-2-(2-pyrrolidin-3-ylethoxy)benzonitrile
CID 114796365
3,6-dichloro-4-(2-pyrrolidin-3-ylethoxy)pyridazine
CID 114796380
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643
6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
6-methyl-2-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796426

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide?
The IUPAC name of 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide (CID 114796482) is 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide.
What is the SMILES notation for 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide?
The canonical SMILES for 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide is NC(=O)c1cc(Cl)ccc1OCCC1CCNC1.
What is the InChIKey of 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide?
The InChIKey is ZGGLSLIVSSMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-10-1-2-12(11(7-10)13(15)17)18-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H2,15,17).
What are the key properties of 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide?
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide is sourced from PubChem (CID 114796482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).