N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide

C21H18ClNO3 — CID 1297407

IUPACN-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H18ClNO3/c1-15-7-5-6-10-19(15)25-14-21(24)23-18-13-16(22)11-12-20(18)26-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,23,24)
InChIKeyLPZSEIVRTMPBNR-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.46
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide

N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide (PubChem CID 1297407) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide
PubChem CID1297407
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C21H18ClNO3/c1-15-7-5-6-10-19(15)25-14-21(24)23-18-13-16(22)11-12-20(18)26-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,23,24)
InChIKeyLPZSEIVRTMPBNR-UHFFFAOYSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide (CID 1297407) is N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide?
The InChIKey is LPZSEIVRTMPBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-15-7-5-6-10-19(15)25-14-21(24)23-18-13-16(22)11-12-20(18)26-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide?
N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide has a molecular weight of 367.83 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1297407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).