N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide

C16H18N2O3 — CID 39311854

IUPACN-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide
SMILESCOc1cc(C(=O)NC2CC2)c(-n2cccc2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-20-14-9-12(16(19)17-11-5-6-11)13(10-15(14)21-2)18-7-3-4-8-18/h3-4,7-11H,5-6H2,1-2H3,(H,17,19)
InChIKeyWWUFSTGISMBTKR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.39
Rot. Bonds5

About N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide

N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide (PubChem CID 39311854) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide
PubChem CID39311854
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide
SMILESCOc1cc(C(=O)NC2CC2)c(-n2cccc2)cc1OC
InChIInChI=1S/C16H18N2O3/c1-20-14-9-12(16(19)17-11-5-6-11)13(10-15(14)21-2)18-7-3-4-8-18/h3-4,7-11H,5-6H2,1-2H3,(H,17,19)
InChIKeyWWUFSTGISMBTKR-UHFFFAOYSA-N
XLogP2.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-N-(3-methoxypropyl)-2-pyrrol-1-ylbenzamide
CID 39348034
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
N-cyclohexyl-2,5-dimethoxy-4-methylbenzamide
CID 110763218
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide (CID 39311854) is N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide is COc1cc(C(=O)NC2CC2)c(-n2cccc2)cc1OC.
What is the InChIKey of N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide?
The InChIKey is WWUFSTGISMBTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14-9-12(16(19)17-11-5-6-11)13(10-15(14)21-2)18-7-3-4-8-18/h3-4,7-11H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide?
N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,5-dimethoxy-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 39311854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).