(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide

C21H20ClNO2 — CID 94018722

IUPAC(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H20ClNO2/c1-3-19(21(24)23-16-12-11-14(2)18(22)13-16)25-20-10-6-8-15-7-4-5-9-17(15)20/h4-13,19H,3H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyGHZGIFCQKMALDX-LJQANCHMSA-N
MW353.85 g/mol
LogP5.60
Rot. Bonds5

About (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide

(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 94018722) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
PubChem CID94018722
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H20ClNO2/c1-3-19(21(24)23-16-12-11-14(2)18(22)13-16)25-20-10-6-8-15-7-4-5-9-17(15)20/h4-13,19H,3H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyGHZGIFCQKMALDX-LJQANCHMSA-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

ethyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43910406
methyl 2-chloro-5-(2-naphthalen-1-yloxybutanoylamino)benzoate
CID 43915723
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782
N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 132761505
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
N-(3-fluorophenyl)-2-naphthalen-1-yloxybutanamide
CID 46770418
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662
(2S)-N-(4-iodophenyl)-2-naphthalen-1-yloxybutanamide
CID 30396463
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide (CID 94018722) is (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide is CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is GHZGIFCQKMALDX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-3-19(21(24)23-16-12-11-14(2)18(22)13-16)25-20-10-6-8-15-7-4-5-9-17(15)20/h4-13,19H,3H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide?
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-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 (2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 94018722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).