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

C18H19F2NO4 — CID 51200356

IUPAC2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C18H19F2NO4/c1-23-15-8-5-13(9-16(15)24-2)11-21-17(22)10-12-3-6-14(7-4-12)25-18(19)20/h3-9,18H,10-11H2,1-2H3,(H,21,22)
InChIKeyBEBVIISEWGBPTH-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.16
Rot. Bonds8

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

2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 51200356) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID51200356
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)cc1OC
InChIInChI=1S/C18H19F2NO4/c1-23-15-8-5-13(9-16(15)24-2)11-21-17(22)10-12-3-6-14(7-4-12)25-18(19)20/h3-9,18H,10-11H2,1-2H3,(H,21,22)
InChIKeyBEBVIISEWGBPTH-UHFFFAOYSA-N
XLogP3.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2477417
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 9261479
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 51200356) is 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cc2ccc(OC(F)F)cc2)cc1OC.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is BEBVIISEWGBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c1-23-15-8-5-13(9-16(15)24-2)11-21-17(22)10-12-3-6-14(7-4-12)25-18(19)20/h3-9,18H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 351.35 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 51200356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).