2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide

C16H13ClF3NO — CID 46588092

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C16H13ClF3NO/c1-9(11-7-10(18)5-6-15(11)20)21-16(22)8-12-13(17)3-2-4-14(12)19/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyFVJLXJKCMKNSSP-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.18
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide (PubChem CID 46588092) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
PubChem CID46588092
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c(F)cccc1Cl)c1cc(F)ccc1F
InChIInChI=1S/C16H13ClF3NO/c1-9(11-7-10(18)5-6-15(11)20)21-16(22)8-12-13(17)3-2-4-14(12)19/h2-7,9H,8H2,1H3,(H,21,22)
InChIKeyFVJLXJKCMKNSSP-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
N-[(2S)-1-aminopropan-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide;hydrochloride
CID 120505968
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 9366156
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
3-chloro-2-[[1-(2,5-difluorophenyl)ethylamino]methyl]phenol
CID 78960006
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]butanedioic acid
CID 78910306
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-ethylpropanamide
CID 8750460
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide (CID 46588092) is 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide is CC(NC(=O)Cc1c(F)cccc1Cl)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The InChIKey is FVJLXJKCMKNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-9(11-7-10(18)5-6-15(11)20)21-16(22)8-12-13(17)3-2-4-14(12)19/h2-7,9H,8H2,1H3,(H,21,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide has a molecular weight of 327.73 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 46588092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).