3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

C15H21ClFNO2 — CID 139405225

IUPAC3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(Cl)c1O
InChIInChI=1S/C15H21ClFNO2/c1-14(2,3)8-15(4,5)18-13(20)9-6-7-10(17)11(16)12(9)19/h6-7,19H,8H2,1-5H3,(H,18,20)
InChIKeyHNXKBNIPKAHXCT-UHFFFAOYSA-N
MW301.79 g/mol
LogP4.13
Rot. Bonds3

About 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide

3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (PubChem CID 139405225) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
PubChem CID139405225
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC Name3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
SMILESCC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(Cl)c1O
InChIInChI=1S/C15H21ClFNO2/c1-14(2,3)8-15(4,5)18-13(20)9-6-7-10(17)11(16)12(9)19/h6-7,19H,8H2,1-5H3,(H,18,20)
InChIKeyHNXKBNIPKAHXCT-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
5-hydroxy-N-(2,4,4-trimethylpentan-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 139405223
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
CID 114917844
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
1-(3,4-difluoro-2-hydroxyphenyl)-1-sulfanyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 87656026
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide (CID 139405225) is 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is CC(C)(C)CC(C)(C)NC(=O)c1ccc(F)c(Cl)c1O.
What is the InChIKey of 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
The InChIKey is HNXKBNIPKAHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2/c1-14(2,3)8-15(4,5)18-13(20)9-6-7-10(17)11(16)12(9)19/h6-7,19H,8H2,1-5H3,(H,18,20).
What are the key properties of 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide?
3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide has a molecular weight of 301.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide is sourced from PubChem (CID 139405225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).