2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide

C18H20ClNO3 — CID 133239980

IUPAC2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(COC)c1
InChIInChI=1S/C18H20ClNO3/c1-3-17(23-16-9-5-7-14(19)11-16)18(21)20-15-8-4-6-13(10-15)12-22-2/h4-11,17H,3,12H2,1-2H3,(H,20,21)
InChIKeySRSSUPITKRHSCU-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.28
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide

2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide (PubChem CID 133239980) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
PubChem CID133239980
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(COC)c1
InChIInChI=1S/C18H20ClNO3/c1-3-17(23-16-9-5-7-14(19)11-16)18(21)20-15-8-4-6-13(10-15)12-22-2/h4-11,17H,3,12H2,1-2H3,(H,20,21)
InChIKeySRSSUPITKRHSCU-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(3-methylphenyl)butanamide
CID 92671807
(2S)-N-(4-acetamidophenyl)-2-(3-chlorophenoxy)butanamide
CID 92681679
N-[3-(methoxymethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185599
(2S)-2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 99952784
(2S)-2-(3-chlorophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 94020227
methyl 4-[[(2R)-2-(3-chlorophenoxy)butanoyl]amino]benzoate
CID 28635665
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide (CID 133239980) is 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)Nc1cccc(COC)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide?
The InChIKey is SRSSUPITKRHSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-17(23-16-9-5-7-14(19)11-16)18(21)20-15-8-4-6-13(10-15)12-22-2/h4-11,17H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide?
2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide has a molecular weight of 333.82 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[3-(methoxymethyl)phenyl]butanamide is sourced from PubChem (CID 133239980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).