2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide

C19H22ClNO3 — CID 133262253

IUPAC2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C19H22ClNO3/c1-4-17(24-15-9-7-8-14(20)12-15)19(22)21-13(2)16-10-5-6-11-18(16)23-3/h5-13,17H,4H2,1-3H3,(H,21,22)
InChIKeyBVFHQXBQJGBSNJ-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.38
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide

2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 133262253) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
PubChem CID133262253
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccccc1OC
InChIInChI=1S/C19H22ClNO3/c1-4-17(24-15-9-7-8-14(20)12-15)19(22)21-13(2)16-10-5-6-11-18(16)23-3/h5-13,17H,4H2,1-3H3,(H,21,22)
InChIKeyBVFHQXBQJGBSNJ-UHFFFAOYSA-N
XLogP4.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133264453
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872
2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 46763081
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 994885
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125064221
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133217309

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide (CID 133262253) is 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC(C)c1ccccc1OC.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is BVFHQXBQJGBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-17(24-15-9-7-8-14(20)12-15)19(22)21-13(2)16-10-5-6-11-18(16)23-3/h5-13,17H,4H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide?
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.38, 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-[1-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 133262253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).