N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide

C17H18ClNO2 — CID 19177306

IUPACN-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO2/c1-11-7-12(2)13(3)16(8-11)21-10-17(20)19-15-6-4-5-14(18)9-15/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyPQHQHRHOGFPLAL-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.28
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide

N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 19177306) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID19177306
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO2/c1-11-7-12(2)13(3)16(8-11)21-10-17(20)19-15-6-4-5-14(18)9-15/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyPQHQHRHOGFPLAL-UHFFFAOYSA-N
XLogP4.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
2-(2-amino-4,6-dimethylphenoxy)-N-(3-chlorophenyl)acetamide
CID 62056523
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
4-tert-butyl-N-[3-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 46763392
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
2-(2-amino-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 61313800
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
(2R)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016158
(2S)-N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 94016157
N-[4-(dimethylamino)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 887503
N-(6-methyl-2-pyridinyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 887387
4-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 45418777

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide (CID 19177306) is N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is PQHQHRHOGFPLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-7-12(2)13(3)16(8-11)21-10-17(20)19-15-6-4-5-14(18)9-15/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide?
N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 303.79 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 19177306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).