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

C16H14ClF2NO3 — CID 42007084

IUPAC2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c17-12-3-7-13(8-4-12)22-10-15(21)20-9-11-1-5-14(6-2-11)23-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyHLFCOWTZEVJEEM-UHFFFAOYSA-N
MW341.74 g/mol
LogP3.64
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 42007084) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID42007084
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c17-12-3-7-13(8-4-12)22-10-15(21)20-9-11-1-5-14(6-2-11)23-16(18)19/h1-8,16H,9-10H2,(H,20,21)
InChIKeyHLFCOWTZEVJEEM-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
2-(4-chloro-3-methylphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007347
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
CID 170046008
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 9229445
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide (CID 42007084) is 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is HLFCOWTZEVJEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c17-12-3-7-13(8-4-12)22-10-15(21)20-9-11-1-5-14(6-2-11)23-16(18)19/h1-8,16H,9-10H2,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 341.74 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 42007084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).