2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide

C14H18FNO2S — CID 71989711

IUPAC2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2(O)CCSCC2)c1
InChIInChI=1S/C14H18FNO2S/c1-10-2-3-12(15)11(8-10)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17)
InChIKeyFXHGKKODQNEMLF-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.12
Rot. Bonds3

About 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide

2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide (PubChem CID 71989711) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
PubChem CID71989711
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC2(O)CCSCC2)c1
InChIInChI=1S/C14H18FNO2S/c1-10-2-3-12(15)11(8-10)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17)
InChIKeyFXHGKKODQNEMLF-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-4-methylbenzamide
CID 111782022
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]-3-methylbenzamide
CID 111484729
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-methylbenzamide
CID 115456399
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
3-bromo-4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484646
4-fluoro-N-[(3-hydroxythiolan-3-yl)methyl]-3-methylbenzamide
CID 111596850
3-[(2-fluoro-5-methylbenzoyl)amino]thiolane-3-carboxylic acid
CID 62514960
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
N-[(4-hydroxythian-4-yl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 111486618
2,6-difluoro-N-[(3-hydroxythiolan-3-yl)methyl]benzamide
CID 111597077
N-[(4-hydroxythian-4-yl)methyl]-2-methylpyridine-3-carboxamide
CID 111484670

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide (CID 71989711) is 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC2(O)CCSCC2)c1.
What is the InChIKey of 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide?
The InChIKey is FXHGKKODQNEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-10-2-3-12(15)11(8-10)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide?
2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-hydroxythian-4-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 71989711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).