(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide

C19H22ClNO3 — CID 28635445

IUPAC(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-18(24-17-6-4-5-15(20)13-17)19(22)21-12-11-14-7-9-16(23-2)10-8-14/h4-10,13,18H,3,11-12H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyWWMSXRGGPXAZMA-SFHVURJKSA-N
MW347.84 g/mol
LogP3.86
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide

(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 28635445) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID28635445
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-18(24-17-6-4-5-15(20)13-17)19(22)21-12-11-14-7-9-16(23-2)10-8-14/h4-10,13,18H,3,11-12H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyWWMSXRGGPXAZMA-SFHVURJKSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975
2-(3-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218838
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide (CID 28635445) is (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is WWMSXRGGPXAZMA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-18(24-17-6-4-5-15(20)13-17)19(22)21-12-11-14-7-9-16(23-2)10-8-14/h4-10,13,18H,3,11-12H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide?
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 347.84 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 28635445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).