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

C16H14F3NO2 — CID 51181469

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c17-14-4-2-1-3-12(14)9-15(21)20-10-11-5-7-13(8-6-11)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyCQZUHSNOOHCBRS-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.29
Rot. Bonds6

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

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 51181469) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
PubChem CID51181469
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c17-14-4-2-1-3-12(14)9-15(21)20-10-11-5-7-13(8-6-11)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyCQZUHSNOOHCBRS-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
2-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 33280716
2-(2-fluorophenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 51317159
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide (CID 51181469) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is CQZUHSNOOHCBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-14-4-2-1-3-12(14)9-15(21)20-10-11-5-7-13(8-6-11)22-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 309.29 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 51181469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).