N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide

C18H20ClNO3 — CID 43916218

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H20ClNO3/c1-4-15(23-16-8-6-5-7-12(16)2)18(21)20-14-11-13(19)9-10-17(14)22-3/h5-11,15H,4H2,1-3H3,(H,20,21)
InChIKeyFQPQWTDYDKPOCU-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.45
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 43916218) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
PubChem CID43916218
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H20ClNO3/c1-4-15(23-16-8-6-5-7-12(16)2)18(21)20-14-11-13(19)9-10-17(14)22-3/h5-11,15H,4H2,1-3H3,(H,20,21)
InChIKeyFQPQWTDYDKPOCU-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 28567804
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173306
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide (CID 43916218) is N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is FQPQWTDYDKPOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-15(23-16-8-6-5-7-12(16)2)18(21)20-14-11-13(19)9-10-17(14)22-3/h5-11,15H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 333.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 43916218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).