2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide

C21H20ClNO2 — CID 133218838

IUPAC2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C21H20ClNO2/c1-2-20(25-19-9-5-8-18(22)13-19)21(24)23-14-15-10-11-16-6-3-4-7-17(16)12-15/h3-13,20H,2,14H2,1H3,(H,23,24)
InChIKeyMEXAOGGNMOSMKQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.97
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide

2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide (PubChem CID 133218838) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
PubChem CID133218838
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C21H20ClNO2/c1-2-20(25-19-9-5-8-18(22)13-19)21(24)23-14-15-10-11-16-6-3-4-7-17(16)12-15/h3-13,20H,2,14H2,1H3,(H,23,24)
InChIKeyMEXAOGGNMOSMKQ-UHFFFAOYSA-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
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
2-(3-chlorophenoxy)-N-[(2-fluorophenyl)methyl]butanamide
CID 17068388
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide (CID 133218838) is 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide?
The InChIKey is MEXAOGGNMOSMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-2-20(25-19-9-5-8-18(22)13-19)21(24)23-14-15-10-11-16-6-3-4-7-17(16)12-15/h3-13,20H,2,14H2,1H3,(H,23,24).
What are the key properties of 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide?
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide 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 2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide is sourced from PubChem (CID 133218838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).