2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide

C18H20ClNO2 — CID 7642640

IUPAC2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESCCc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-3-14-11-16(9-10-17(14)19)22-12-18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyWZMJXLJANXABFY-ZDUSSCGKSA-N
MW317.82 g/mol
LogP4.16
Rot. Bonds6

About 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide

2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 7642640) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID7642640
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESCCc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-3-14-11-16(9-10-17(14)19)22-12-18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyWZMJXLJANXABFY-ZDUSSCGKSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-(4-chloro-3-ethylphenoxy)-N-phenylacetamide
CID 7642625
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-benzyl-2-(4-chloro-3-ethylphenoxy)acetamide
CID 7642627
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide (CID 7642640) is 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide is CCc1cc(OCC(=O)N[C@@H](C)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is WZMJXLJANXABFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-14-11-16(9-10-17(14)19)22-12-18(21)20-13(2)15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide?
2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 317.82 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethylphenoxy)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 7642640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).