2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide

C17H17F2NO2 — CID 33280716

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2NO2/c1-12-3-2-4-14(9-12)11-20-16(21)10-13-5-7-15(8-6-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyRMKJVYWNIDNEPL-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.46
Rot. Bonds6

About 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide

2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 33280716) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID33280716
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)Cc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H17F2NO2/c1-12-3-2-4-14(9-12)11-20-16(21)10-13-5-7-15(8-6-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyRMKJVYWNIDNEPL-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-[4-(difluoromethoxy)phenyl]-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031888
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide (CID 33280716) is 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)Cc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is RMKJVYWNIDNEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-12-3-2-4-14(9-12)11-20-16(21)10-13-5-7-15(8-6-13)22-17(18)19/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 305.32 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 33280716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).