N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide

C23H22ClNO3 — CID 11703928

IUPACN-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3
InChIKeyWKXZWMBKNKUUKW-UHFFFAOYSA-N
MW395.89 g/mol
LogP6.08
Rot. Bonds7

About N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide

N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 11703928) has the molecular formula C23H22ClNO3 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID11703928
Molecular FormulaC23H22ClNO3
Molecular Weight395.89 g/mol
Exact Mass395.13
IUPAC NameN-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
InChIInChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3
InChIKeyWKXZWMBKNKUUKW-UHFFFAOYSA-N
XLogP6.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide (CID 11703928) is N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1.
What is the InChIKey of N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is WKXZWMBKNKUUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO3/c1-3-27-22-12-8-7-9-18(22)16-25(17(2)26)21-14-13-19(24)15-23(21)28-20-10-5-4-6-11-20/h4-15H,3,16H2,1-2H3.
What are the key properties of N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide?
N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-phenoxyphenyl)-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 11703928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).