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

C20H21FN4O3 — CID 120881524

IUPAC3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc3c(c2F)CCNC3)c1
InChIInChI=1S/C20H21FN4O3/c1-11(26)23-15-7-14(8-16(9-15)24-12(2)27)20(28)25-18-4-3-13-10-22-6-5-17(13)19(18)21/h3-4,7-9,22H,5-6,10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyPIMFBRCSXXYZBE-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.64
Rot. Bonds4

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

3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide (PubChem CID 120881524) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
PubChem CID120881524
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc3c(c2F)CCNC3)c1
InChIInChI=1S/C20H21FN4O3/c1-11(26)23-15-7-14(8-16(9-15)24-12(2)27)20(28)25-18-4-3-13-10-22-6-5-17(13)19(18)21/h3-4,7-9,22H,5-6,10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyPIMFBRCSXXYZBE-UHFFFAOYSA-N
XLogP2.64
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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)-4-propan-2-ylbenzamide
CID 120881766
4-acetyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiophene-2-carboxamide
CID 120884122
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120882547
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethyl-5-sulfamoylbenzamide;hydrochloride
CID 120883987
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(propylsulfonylamino)benzamide
CID 120881058
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)-4-(methylsulfonylmethyl)benzamide
CID 120881504
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
4-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(methylsulfanylmethyl)benzamide
CID 120883476
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide (CID 120881524) is 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc3c(c2F)CCNC3)c1.
What is the InChIKey of 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
The InChIKey is PIMFBRCSXXYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11(26)23-15-7-14(8-16(9-15)24-12(2)27)20(28)25-18-4-3-13-10-22-6-5-17(13)19(18)21/h3-4,7-9,22H,5-6,10H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide?
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide has a molecular weight of 384.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide is sourced from PubChem (CID 120881524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).