4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C17H26Cl2N2O3 — CID 119553771

IUPAC4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)N(C)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-4-5-8-23-16-14(18)9-12(10-15(16)22-3)17(21)20(2)13-6-7-19-11-13;/h9-10,13,19H,4-8,11H2,1-3H3;1H
InChIKeySKYDEIUXIXFORZ-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.38
Rot. Bonds7

About 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119553771) has the molecular formula C17H26Cl2N2O3 and a molecular weight of 377.31 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119553771
Molecular FormulaC17H26Cl2N2O3
Molecular Weight377.31 g/mol
Exact Mass376.13
IUPAC Name4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)N(C)C2CCNC2)cc1OC.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-4-5-8-23-16-14(18)9-12(10-15(16)22-3)17(21)20(2)13-6-7-19-11-13;/h9-10,13,19H,4-8,11H2,1-3H3;1H
InChIKeySKYDEIUXIXFORZ-UHFFFAOYSA-N
XLogP3.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443735
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
3-(methanesulfonamido)-4,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119551020
3,4,5-triethoxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442005

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119553771) is 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCCOc1c(Cl)cc(C(=O)N(C)C2CCNC2)cc1OC.Cl.
What is the InChIKey of 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is SKYDEIUXIXFORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3.ClH/c1-4-5-8-23-16-14(18)9-12(10-15(16)22-3)17(21)20(2)13-6-7-19-11-13;/h9-10,13,19H,4-8,11H2,1-3H3;1H.
What are the key properties of 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 377.31 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119553771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).