N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C21H23ClN2O2 — CID 55559378

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCCc2ccccc21
InChIInChI=1S/C21H23ClN2O2/c22-16-8-9-20(24-10-12-26-13-11-24)19(14-16)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-9,14,18H,3,5,7,10-13H2,(H,23,25)
InChIKeyZIOSZDIKNVEBGH-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.24
Rot. Bonds3

About N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 55559378) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID55559378
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCCc2ccccc21
InChIInChI=1S/C21H23ClN2O2/c22-16-8-9-20(24-10-12-26-13-11-24)19(14-16)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-9,14,18H,3,5,7,10-13H2,(H,23,25)
InChIKeyZIOSZDIKNVEBGH-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39982639
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
CID 78798756
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95298708
1-(2-bromophenyl)-N-(5-chloro-2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586344
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127
(3R)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136129
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 55559378) is N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCCc2ccccc21.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is ZIOSZDIKNVEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-16-8-9-20(24-10-12-26-13-11-24)19(14-16)23-21(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-2,4,6,8-9,14,18H,3,5,7,10-13H2,(H,23,25).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 55559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).