(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

C20H22ClNO2 — CID 99131719

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H22ClNO2/c1-2-19(24-16-12-10-15(21)11-13-16)20(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-19H,2,5,7,9H2,1H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyZJTUPBMBKAVNAT-MOPGFXCFSA-N
MW343.85 g/mol
LogP4.69
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide

(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (PubChem CID 99131719) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
PubChem CID99131719
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H22ClNO2/c1-2-19(24-16-12-10-15(21)11-13-16)20(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-19H,2,5,7,9H2,1H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyZJTUPBMBKAVNAT-MOPGFXCFSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161744
(2R)-2-(3-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28636778
(2S)-2-(3-methylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28636781
(2R,4S)-5-[(4-chlorophenyl)sulfinylamino]-2-ethyl-4-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 90154279
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832813
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 125044262
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7606118
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dichlorobenzoate
CID 7724282
(2S)-2-(N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 92672083
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 6596911

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide (CID 99131719) is (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
The InChIKey is ZJTUPBMBKAVNAT-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-2-19(24-16-12-10-15(21)11-13-16)20(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18-19H,2,5,7,9H2,1H3,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide?
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide has a molecular weight of 343.85 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide is sourced from PubChem (CID 99131719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).