(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C21H24ClNO2 — CID 100541446

IUPAC(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-15(21(24)23-14-13-16-9-11-18(22)12-10-16)25-20-8-4-6-17-5-2-3-7-19(17)20/h4,6,8-12,15H,2-3,5,7,13-14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyCWSHZQIXDIMERG-OAHLLOKOSA-N
MW357.88 g/mol
LogP4.34
Rot. Bonds6

About (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 100541446) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID100541446
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C21H24ClNO2/c1-15(21(24)23-14-13-16-9-11-18(22)12-10-16)25-20-8-4-6-17-5-2-3-7-19(17)20/h4,6,8-12,15H,2-3,5,7,13-14H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyCWSHZQIXDIMERG-OAHLLOKOSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100597757
N-[2-(4-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133164804
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100659224
N-(2-phenylethyl)-2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoylamino]benzamide
CID 133224676
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133265315
(2S)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100635281
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 100541446) is (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is CWSHZQIXDIMERG-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-15(21(24)23-14-13-16-9-11-18(22)12-10-16)25-20-8-4-6-17-5-2-3-7-19(17)20/h4,6,8-12,15H,2-3,5,7,13-14H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 357.88 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 100541446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).