[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

C20H24ClN2O+ — CID 9331623

IUPAC[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-14(16-8-4-9-17(21)12-16)22-13-20(24)23-19-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,12,14,19,22H,5,7,11,13H2,1H3,(H,23,24)/p+1/t14-,19+/m0/s1
InChIKeyOXTSLQPARJRWPR-IFXJQAMLSA-O
MW343.88 g/mol
LogP3.16
Rot. Bonds5

About [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium

[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (PubChem CID 9331623) has the molecular formula C20H24ClN2O+ and a molecular weight of 343.88 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
PubChem CID9331623
Molecular FormulaC20H24ClN2O+
Molecular Weight343.88 g/mol
Exact Mass343.16
IUPAC Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c1-14(16-8-4-9-17(21)12-16)22-13-20(24)23-19-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,12,14,19,22H,5,7,11,13H2,1H3,(H,23,24)/p+1/t14-,19+/m0/s1
InChIKeyOXTSLQPARJRWPR-IFXJQAMLSA-O
XLogP3.16
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium with MolForge

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726
(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 41244294
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911
3-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 7919825
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28984802
2-(6-chloroindazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22510013
2-(2,6-dichlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543502
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9377036
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25408220

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium (CID 9331623) is [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
The InChIKey is OXTSLQPARJRWPR-IFXJQAMLSA-O. The full InChI is InChI=1S/C20H23ClN2O/c1-14(16-8-4-9-17(21)12-16)22-13-20(24)23-19-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,12,14,19,22H,5,7,11,13H2,1H3,(H,23,24)/p+1/t14-,19+/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium?
[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium has a molecular weight of 343.88 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium is sourced from PubChem (CID 9331623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).