4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

C19H29ClN2O3 — CID 119535369

IUPAC4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCCC2CCNC2)cc1OCC
InChIInChI=1S/C19H29ClN2O3/c1-3-5-10-25-18-16(20)11-15(12-17(18)24-4-2)19(23)22-9-7-14-6-8-21-13-14/h11-12,14,21H,3-10,13H2,1-2H3,(H,22,23)
InChIKeyWGIOYQCLBIQIGB-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.65
Rot. Bonds10

About 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide

4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119535369) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119535369
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCCC2CCNC2)cc1OCC
InChIInChI=1S/C19H29ClN2O3/c1-3-5-10-25-18-16(20)11-15(12-17(18)24-4-2)19(23)22-9-7-14-6-8-21-13-14/h11-12,14,21H,3-10,13H2,1-2H3,(H,22,23)
InChIKeyWGIOYQCLBIQIGB-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461806
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
methyl 6-[(4-butoxy-3-chloro-5-ethoxybenzoyl)amino]hexanoate
CID 55349852
4-ethoxy-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535571
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119553771
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119535369) is 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is CCCCOc1c(Cl)cc(C(=O)NCCC2CCNC2)cc1OCC.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is WGIOYQCLBIQIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-3-5-10-25-18-16(20)11-15(12-17(18)24-4-2)19(23)22-9-7-14-6-8-21-13-14/h11-12,14,21H,3-10,13H2,1-2H3,(H,22,23).
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 368.91 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119535369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).