4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide

C13H18FNO2S — CID 110001013

IUPAC4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cc(C(=O)NC(C)(C)CO)ccc1F
InChIInChI=1S/C13H18FNO2S/c1-13(2,8-16)15-12(17)9-4-5-11(14)10(6-9)7-18-3/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyCOIOGAWTOGLTCY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.19
Rot. Bonds5

About 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide

4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide (PubChem CID 110001013) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide
PubChem CID110001013
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide
SMILESCSCc1cc(C(=O)NC(C)(C)CO)ccc1F
InChIInChI=1S/C13H18FNO2S/c1-13(2,8-16)15-12(17)9-4-5-11(14)10(6-9)7-18-3/h4-6,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyCOIOGAWTOGLTCY-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 62679848
6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 63980448
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
N-ethyl-4-fluoro-N-(2-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 111596727
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 119524337
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide?
The IUPAC name of 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide (CID 110001013) is 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide is CSCc1cc(C(=O)NC(C)(C)CO)ccc1F.
What is the InChIKey of 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide?
The InChIKey is COIOGAWTOGLTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-13(2,8-16)15-12(17)9-4-5-11(14)10(6-9)7-18-3/h4-6,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide?
4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 110001013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).