N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide

C17H18ClNO3 — CID 2627654

IUPACN-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H18ClNO3/c1-11-4-7-15(16(8-11)21-3)22-10-17(20)19-14-6-5-13(18)9-12(14)2/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKOCAPQKEEFEVEY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.98
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide

N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 2627654) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID2627654
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H18ClNO3/c1-11-4-7-15(16(8-11)21-3)22-10-17(20)19-14-6-5-13(18)9-12(14)2/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyKOCAPQKEEFEVEY-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 2827268
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
N-(4-chloro-2-methylphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16548736
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide (CID 2627654) is N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is KOCAPQKEEFEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-4-7-15(16(8-11)21-3)22-10-17(20)19-14-6-5-13(18)9-12(14)2/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 2627654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).