2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide

C19H23ClN2O3 — CID 51852671

IUPAC2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCCOc1cc(CN[C@@H](C)c2ccccc2)c(Cl)cc1OCC(N)=O
InChIInChI=1S/C19H23ClN2O3/c1-3-24-17-9-15(16(20)10-18(17)25-12-19(21)23)11-22-13(2)14-7-5-4-6-8-14/h4-10,13,22H,3,11-12H2,1-2H3,(H2,21,23)/t13-/m0/s1
InChIKeyFZIPBKMZGIZFKE-ZDUSSCGKSA-N
MW362.86 g/mol
LogP3.45
Rot. Bonds9

About 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide

2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide (PubChem CID 51852671) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
PubChem CID51852671
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide
SMILESCCOc1cc(CN[C@@H](C)c2ccccc2)c(Cl)cc1OCC(N)=O
InChIInChI=1S/C19H23ClN2O3/c1-3-24-17-9-15(16(20)10-18(17)25-12-19(21)23)11-22-13(2)14-7-5-4-6-8-14/h4-10,13,22H,3,11-12H2,1-2H3,(H2,21,23)/t13-/m0/s1
InChIKeyFZIPBKMZGIZFKE-ZDUSSCGKSA-N
XLogP3.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide (CID 51852671) is 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide is CCOc1cc(CN[C@@H](C)c2ccccc2)c(Cl)cc1OCC(N)=O.
What is the InChIKey of 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is FZIPBKMZGIZFKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-3-24-17-9-15(16(20)10-18(17)25-12-19(21)23)11-22-13(2)14-7-5-4-6-8-14/h4-10,13,22H,3,11-12H2,1-2H3,(H2,21,23)/t13-/m0/s1.
What are the key properties of 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide?
2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 362.86 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-ethoxy-4-[[[(1S)-1-phenylethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 51852671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).