2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide

C20H22ClNO3 — CID 15718615

IUPAC2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)CC(CNC(=O)C(O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C20H22ClNO3/c1-25-18-8-7-14-6-5-13(9-16(14)11-18)12-22-20(24)19(23)15-3-2-4-17(21)10-15/h2-4,7-8,10-11,13,19,23H,5-6,9,12H2,1H3,(H,22,24)
InChIKeyLXSSIOBXUPHWMM-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.30
Rot. Bonds5

About 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide

2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide (PubChem CID 15718615) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide
PubChem CID15718615
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide
SMILESCOc1ccc2c(c1)CC(CNC(=O)C(O)c1cccc(Cl)c1)CC2
InChIInChI=1S/C20H22ClNO3/c1-25-18-8-7-14-6-5-13(9-16(14)11-18)12-22-20(24)19(23)15-3-2-4-17(21)10-15/h2-4,7-8,10-11,13,19,23H,5-6,9,12H2,1H3,(H,22,24)
InChIKeyLXSSIOBXUPHWMM-UHFFFAOYSA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 15718634
N-(cyclohex-3-en-1-ylmethyl)-2-hydroxy-2-(3-methoxyphenyl)acetamide
CID 84594957
methyl 2-[[(7R)-7-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 67746884
1-(3-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)ethanol
CID 15718633
(1S)-1-(3-chlorophenyl)-2-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]ethanol
CID 67740591
ethyl 2-[[(7R)-7-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 159432574
1-(3-chlorophenyl)-2-[(7-ethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanol
CID 67832460
ethyl 3-[7-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enoate
CID 54414859
[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl] butaneperoxoate
CID 90800070
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 91075803
5-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-2-methylbenzoic acid;hydrochloride
CID 24950054
ethyl 3-[6-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propanoate
CID 19386066

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide (CID 15718615) is 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide is COc1ccc2c(c1)CC(CNC(=O)C(O)c1cccc(Cl)c1)CC2.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide?
The InChIKey is LXSSIOBXUPHWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-25-18-8-7-14-6-5-13(9-16(14)11-18)12-22-20(24)19(23)15-3-2-4-17(21)10-15/h2-4,7-8,10-11,13,19,23H,5-6,9,12H2,1H3,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide?
2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide has a molecular weight of 359.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydroxy-N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]acetamide is sourced from PubChem (CID 15718615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).