N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide

C18H20ClNO3 — CID 53284365

IUPACN-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-17(23-16-6-4-5-15(11-16)22-2)18(21)20-12-13-7-9-14(19)10-8-13/h4-11,17H,3,12H2,1-2H3,(H,20,21)
InChIKeyOKFJSJMFOOUETF-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.82
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide

N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 53284365) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID53284365
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-3-17(23-16-6-4-5-15(11-16)22-2)18(21)20-12-13-7-9-14(19)10-8-13/h4-11,17H,3,12H2,1-2H3,(H,20,21)
InChIKeyOKFJSJMFOOUETF-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide (CID 53284365) is N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is OKFJSJMFOOUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-3-17(23-16-6-4-5-15(11-16)22-2)18(21)20-12-13-7-9-14(19)10-8-13/h4-11,17H,3,12H2,1-2H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide?
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 333.82 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 53284365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).