3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide

C14H19ClN2O2 — CID 102668901

IUPAC3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
SMILESNC(=O)c1ccc(COCCC2CCNC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-7-11(14(16)18)1-2-12(13)9-19-6-4-10-3-5-17-8-10/h1-2,7,10,17H,3-6,8-9H2,(H2,16,18)
InChIKeyHTWHUTQUCDGDHY-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.96
Rot. Bonds6

About 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide

3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide (PubChem CID 102668901) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
PubChem CID102668901
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide
SMILESNC(=O)c1ccc(COCCC2CCNC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-13-7-11(14(16)18)1-2-12(13)9-19-6-4-10-3-5-17-8-10/h1-2,7,10,17H,3-6,8-9H2,(H2,16,18)
InChIKeyHTWHUTQUCDGDHY-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(piperidin-4-yloxymethyl)benzamide
CID 102668830
4-(3-aminopropoxymethyl)-3-chlorobenzamide
CID 102668854
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757
3-chloro-4-(2-cyclobutylethoxymethyl)benzenecarboximidamide
CID 106202147
3-chloro-4-(pyrrolidin-3-ylmethyl)benzoic acid
CID 84800004
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
3-chloro-4-[(2,6-dimethylpiperazin-1-yl)methyl]benzamide
CID 102669228

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide?
The IUPAC name of 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide (CID 102668901) is 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide.
What is the SMILES notation for 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide?
The canonical SMILES for 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide is NC(=O)c1ccc(COCCC2CCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide?
The InChIKey is HTWHUTQUCDGDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-13-7-11(14(16)18)1-2-12(13)9-19-6-4-10-3-5-17-8-10/h1-2,7,10,17H,3-6,8-9H2,(H2,16,18).
What are the key properties of 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide?
3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-pyrrolidin-3-ylethoxymethyl)benzamide is sourced from PubChem (CID 102668901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).