(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide

C21H20ClNO2 — CID 94016054

IUPAC(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H20ClNO2/c1-3-20(21(24)23-17-10-8-14(2)19(22)13-17)25-18-11-9-15-6-4-5-7-16(15)12-18/h4-13,20H,3H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyMZBIHUYYUQFXMF-FQEVSTJZSA-N
MW353.85 g/mol
LogP5.60
Rot. Bonds5

About (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide

(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 94016054) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID94016054
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H20ClNO2/c1-3-20(21(24)23-17-10-8-14(2)19(22)13-17)25-18-11-9-15-6-4-5-7-16(15)12-18/h4-13,20H,3H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyMZBIHUYYUQFXMF-FQEVSTJZSA-N
XLogP5.60
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 ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
N-(3-chloro-4-methylphenyl)-2-(4-phenylphenoxy)butanamide
CID 17073364
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 92680808
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide (CID 94016054) is (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is MZBIHUYYUQFXMF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-3-20(21(24)23-17-10-8-14(2)19(22)13-17)25-18-11-9-15-6-4-5-7-16(15)12-18/h4-13,20H,3H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide?
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 353.85 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 94016054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).