N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

C20H21FN4O2 — CID 120883484

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1c(C(=O)Nc2ccc3c(c2F)CCNC3)cccc1N1CCNC1=O
InChIInChI=1S/C20H21FN4O2/c1-12-14(3-2-4-17(12)25-10-9-23-20(25)27)19(26)24-16-6-5-13-11-22-8-7-15(13)18(16)21/h2-6,22H,7-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyWCIASBLWQZHANW-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.56
Rot. Bonds3

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 120883484) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID120883484
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1c(C(=O)Nc2ccc3c(c2F)CCNC3)cccc1N1CCNC1=O
InChIInChI=1S/C20H21FN4O2/c1-12-14(3-2-4-17(12)25-10-9-23-20(25)27)19(26)24-16-6-5-13-11-22-8-7-15(13)18(16)21/h2-6,22H,7-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyWCIASBLWQZHANW-UHFFFAOYSA-N
XLogP2.56
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 120883642
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120882309
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120881137
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889
2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120883647
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 120881241
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 120881076
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopropane-1-carboxamide
CID 120881068
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120882169
2-methyl-3-(2-oxoimidazolidin-1-yl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 75495810

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide (CID 120883484) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1c(C(=O)Nc2ccc3c(c2F)CCNC3)cccc1N1CCNC1=O.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is WCIASBLWQZHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12-14(3-2-4-17(12)25-10-9-23-20(25)27)19(26)24-16-6-5-13-11-22-8-7-15(13)18(16)21/h2-6,22H,7-11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 368.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 120883484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).