(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide

C21H20ClNO2 — CID 99131305

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO2/c1-2-20(21(24)23-14-15-7-10-18(22)11-8-15)25-19-12-9-16-5-3-4-6-17(16)13-19/h3-13,20H,2,14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyLPERLDSSSQEPPM-FQEVSTJZSA-N
MW353.85 g/mol
LogP4.97
Rot. Bonds6

About (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide

(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 99131305) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
PubChem CID99131305
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H20ClNO2/c1-2-20(21(24)23-14-15-7-10-18(22)11-8-15)25-19-12-9-16-5-3-4-6-17(16)13-19/h3-13,20H,2,14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyLPERLDSSSQEPPM-FQEVSTJZSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 99951850
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide (CID 99131305) is (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is LPERLDSSSQEPPM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-2-20(21(24)23-14-15-7-10-18(22)11-8-15)25-19-12-9-16-5-3-4-6-17(16)13-19/h3-13,20H,2,14H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 353.85 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 99131305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).