2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C16H12ClF4NO2 — CID 26012483

IUPAC2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12ClF4NO2/c17-12-5-3-6-13(18)11(12)8-15(23)22-9-10-4-1-2-7-14(10)24-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyBBZPLTVSCQABNH-UHFFFAOYSA-N
MW361.72 g/mol
LogP4.24
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 26012483) has the molecular formula C16H12ClF4NO2 and a molecular weight of 361.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID26012483
Molecular FormulaC16H12ClF4NO2
Molecular Weight361.72 g/mol
Exact Mass361.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H12ClF4NO2/c17-12-5-3-6-13(18)11(12)8-15(23)22-9-10-4-1-2-7-14(10)24-16(19,20)21/h1-7H,8-9H2,(H,22,23)
InChIKeyBBZPLTVSCQABNH-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142509
2-(4-chlorophenyl)sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 34322066
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 26012483) is 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is BBZPLTVSCQABNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF4NO2/c17-12-5-3-6-13(18)11(12)8-15(23)22-9-10-4-1-2-7-14(10)24-16(19,20)21/h1-7H,8-9H2,(H,22,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 361.72 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 26012483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).