5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C13H18Cl2N2O2 — CID 119513727

IUPAC5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-9(14)7-11(12)13(17)16-8-10-3-2-6-15-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyKEECEBUKIQZTMQ-UHFFFAOYSA-N
MW305.20 g/mol
LogP2.25
Rot. Bonds4

About 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119513727) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119513727
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCOc1ccc(Cl)cc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-9(14)7-11(12)13(17)16-8-10-3-2-6-15-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17);1H
InChIKeyKEECEBUKIQZTMQ-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607639
5-chloro-N-ethyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609149
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
N-[(2-bromocyclopentyl)methyl]-5-chloro-2-methoxybenzamide
CID 113275434
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-(dimethylsulfamoyl)-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512431
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 14665499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119513727) is 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is COc1ccc(Cl)cc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is KEECEBUKIQZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2.ClH/c1-18-12-5-4-9(14)7-11(12)13(17)16-8-10-3-2-6-15-10;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17);1H.
What are the key properties of 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 305.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119513727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).