2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H14ClF4NO2 — CID 55611461

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14ClF4NO2/c1-10(11-5-7-12(8-6-11)25-17(20,21)22)23-16(24)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyVSFYAKHECOQKHW-UHFFFAOYSA-N
MW375.75 g/mol
LogP4.80
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 55611461) has the molecular formula C17H14ClF4NO2 and a molecular weight of 375.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID55611461
Molecular FormulaC17H14ClF4NO2
Molecular Weight375.75 g/mol
Exact Mass375.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14ClF4NO2/c1-10(11-5-7-12(8-6-11)25-17(20,21)22)23-16(24)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyVSFYAKHECOQKHW-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(2-chloro-6-fluorophenyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 55653646
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2435833
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 46588092
2-(2-chloro-6-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]acetamide
CID 39951192
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 55611461) is 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is VSFYAKHECOQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NO2/c1-10(11-5-7-12(8-6-11)25-17(20,21)22)23-16(24)9-13-14(18)3-2-4-15(13)19/h2-8,10H,9H2,1H3,(H,23,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 375.75 g/mol, XLogP of 4.80, 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-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55611461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).