(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide

C21H20ClNO2 — CID 8025361

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C21H20ClNO2/c1-14(17-8-7-16-5-3-4-6-18(16)13-17)23-21(24)15(2)25-20-11-9-19(22)10-12-20/h3-15H,1-2H3,(H,23,24)/t14-,15-/m1/s1
InChIKeyIHDGDMLFPOVYBS-HUUCEWRRSA-N
MW353.85 g/mol
LogP5.14
Rot. Bonds5

About (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide

(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide (PubChem CID 8025361) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
PubChem CID8025361
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C21H20ClNO2/c1-14(17-8-7-16-5-3-4-6-18(16)13-17)23-21(24)15(2)25-20-11-9-19(22)10-12-20/h3-15H,1-2H3,(H,23,24)/t14-,15-/m1/s1
InChIKeyIHDGDMLFPOVYBS-HUUCEWRRSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
CID 27840014
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
(2S)-2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579899
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 8579894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide (CID 8025361) is (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
The InChIKey is IHDGDMLFPOVYBS-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-14(17-8-7-16-5-3-4-6-18(16)13-17)23-21(24)15(2)25-20-11-9-19(22)10-12-20/h3-15H,1-2H3,(H,23,24)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide?
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide has a molecular weight of 353.85 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide is sourced from PubChem (CID 8025361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).