2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide

C14H17ClFNO2S — CID 111484750

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1(O)CCSCC1
InChIInChI=1S/C14H17ClFNO2S/c15-11-2-1-3-12(16)10(11)8-13(18)17-9-14(19)4-6-20-7-5-14/h1-3,19H,4-9H2,(H,17,18)
InChIKeyWWFHGAWAVCYUJR-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide (PubChem CID 111484750) has the molecular formula C14H17ClFNO2S and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
PubChem CID111484750
Molecular FormulaC14H17ClFNO2S
Molecular Weight317.81 g/mol
Exact Mass317.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1(O)CCSCC1
InChIInChI=1S/C14H17ClFNO2S/c15-11-2-1-3-12(16)10(11)8-13(18)17-9-14(19)4-6-20-7-5-14/h1-3,19H,4-9H2,(H,17,18)
InChIKeyWWFHGAWAVCYUJR-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311909
2-(4-chlorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484725
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 114758055
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 81483240
2-(2-chloro-6-fluorophenyl)-N-[(3S)-3-cyanothiolan-3-yl]acetamide
CID 94797656
2-(2-chloro-6-fluorophenyl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 18139443
1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 116576500
2-(2-chloro-6-fluorophenyl)-N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]acetamide
CID 91817773
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
N-[1-(aminomethyl)cyclopentyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 63887000
2-(2-chloro-6-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]acetamide
CID 121179089
4-(2-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]but-3-enamide
CID 111825758

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide (CID 111484750) is 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCC1(O)CCSCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The InChIKey is WWFHGAWAVCYUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2S/c15-11-2-1-3-12(16)10(11)8-13(18)17-9-14(19)4-6-20-7-5-14/h1-3,19H,4-9H2,(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide has a molecular weight of 317.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide is sourced from PubChem (CID 111484750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).