4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C17H25ClN2O3 — CID 119513747

IUPAC4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCC2CCCN2)cc1OC
InChIInChI=1S/C17H25ClN2O3/c1-3-4-8-23-16-14(18)9-12(10-15(16)22-2)17(21)20-11-13-6-5-7-19-13/h9-10,13,19H,3-8,11H2,1-2H3,(H,20,21)
InChIKeyVIKVFKPNEIDXPR-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.01
Rot. Bonds8

About 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide

4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119513747) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119513747
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NCC2CCCN2)cc1OC
InChIInChI=1S/C17H25ClN2O3/c1-3-4-8-23-16-14(18)9-12(10-15(16)22-2)17(21)20-11-13-6-5-7-19-13/h9-10,13,19H,3-8,11H2,1-2H3,(H,20,21)
InChIKeyVIKVFKPNEIDXPR-UHFFFAOYSA-N
XLogP3.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.01
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

4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 120577293
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
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
methyl 3-chloro-5-methoxy-4-(pyrrolidin-2-ylmethoxy)benzoate
CID 117053306
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119513747) is 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is CCCCOc1c(Cl)cc(C(=O)NCC2CCCN2)cc1OC.
What is the InChIKey of 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is VIKVFKPNEIDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-3-4-8-23-16-14(18)9-12(10-15(16)22-2)17(21)20-11-13-6-5-7-19-13/h9-10,13,19H,3-8,11H2,1-2H3,(H,20,21).
What are the key properties of 4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 340.85 g/mol, XLogP of 3.01, 8 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-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119513747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).