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

C21H20ClNO2 — CID 132761505

IUPACN-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C21H20ClNO2/c1-3-19(21(24)23-18-12-11-16(22)13-14(18)2)25-20-10-6-8-15-7-4-5-9-17(15)20/h4-13,19H,3H2,1-2H3,(H,23,24)
InChIKeyPJWNPLVMAGAQEI-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.60
Rot. Bonds5

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

N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 132761505) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
PubChem CID132761505
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C21H20ClNO2/c1-3-19(21(24)23-18-12-11-16(22)13-14(18)2)25-20-10-6-8-15-7-4-5-9-17(15)20/h4-13,19H,3H2,1-2H3,(H,23,24)
InChIKeyPJWNPLVMAGAQEI-UHFFFAOYSA-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-(2,4-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 99954003
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
ethyl 3-methyl-4-[[(2S)-2-naphthalen-1-yloxybutanoyl]amino]benzoate
CID 28634266
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
(2R)-N-(2-chlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 94019163
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-N-(3-chloro-4-methylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94018722
(2R)-N-(2,3-dichlorophenyl)-2-naphthalen-1-yloxybutanamide
CID 28633203
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94019853
(2R)-N-(3-acetamidophenyl)-2-naphthalen-1-yloxybutanamide
CID 92671782

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide (CID 132761505) is N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is PJWNPLVMAGAQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-3-19(21(24)23-18-12-11-16(22)13-14(18)2)25-20-10-6-8-15-7-4-5-9-17(15)20/h4-13,19H,3H2,1-2H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide?
N-(4-chloro-2-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 N-(4-chloro-2-methylphenyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 132761505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).