5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19BrN2O3 — CID 14665499

IUPAC5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(Br)cc(C(=O)NCC2CCCN2)c1OC
InChIInChI=1S/C14H19BrN2O3/c1-19-12-7-9(15)6-11(13(12)20-2)14(18)17-8-10-4-3-5-16-10/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeySOPVNOAKIFLUAB-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.95
Rot. Bonds5

About 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide

5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 14665499) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID14665499
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCOc1cc(Br)cc(C(=O)NCC2CCCN2)c1OC
InChIInChI=1S/C14H19BrN2O3/c1-19-12-7-9(15)6-11(13(12)20-2)14(18)17-8-10-4-3-5-16-10/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeySOPVNOAKIFLUAB-UHFFFAOYSA-N
XLogP1.95
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2,3-dimethoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]benzamide
CID 11741085
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
5-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide;hydrobromide
CID 46781582
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
5-bromo-2-methyl-N-(pyrrolidin-2-ylmethyl)-3-sulfamoylbenzamide;hydrochloride
CID 119512294
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
7-methoxy-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoline-4-carboxamide
CID 119071112
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide (CID 14665499) is 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide is COc1cc(Br)cc(C(=O)NCC2CCCN2)c1OC.
What is the InChIKey of 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is SOPVNOAKIFLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-19-12-7-9(15)6-11(13(12)20-2)14(18)17-8-10-4-3-5-16-10/h6-7,10,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide?
5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 343.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 14665499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).