2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide

C16H23F2NO3 — CID 109380784

IUPAC2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NCC(C)(C)C(O)C(C)C)c1F
InChIInChI=1S/C16H23F2NO3/c1-9(2)14(20)16(3,4)8-19-15(21)12-10(17)6-7-11(22-5)13(12)18/h6-7,9,14,20H,8H2,1-5H3,(H,19,21)
InChIKeyRMEWRHUHDDDAFW-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.75
Rot. Bonds6

About 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide

2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide (PubChem CID 109380784) has the molecular formula C16H23F2NO3 and a molecular weight of 315.36 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide
PubChem CID109380784
Molecular FormulaC16H23F2NO3
Molecular Weight315.36 g/mol
Exact Mass315.16
IUPAC Name2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide
SMILESCOc1ccc(F)c(C(=O)NCC(C)(C)C(O)C(C)C)c1F
InChIInChI=1S/C16H23F2NO3/c1-9(2)14(20)16(3,4)8-19-15(21)12-10(17)6-7-11(22-5)13(12)18/h6-7,9,14,20H,8H2,1-5H3,(H,19,21)
InChIKeyRMEWRHUHDDDAFW-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
5-[(2-fluorophenoxy)methyl]-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]furan-2-carboxamide
CID 97078199
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380791
4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
CID 110000428
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide?
The IUPAC name of 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide (CID 109380784) is 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide?
The canonical SMILES for 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide is COc1ccc(F)c(C(=O)NCC(C)(C)C(O)C(C)C)c1F.
What is the InChIKey of 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide?
The InChIKey is RMEWRHUHDDDAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3/c1-9(2)14(20)16(3,4)8-19-15(21)12-10(17)6-7-11(22-5)13(12)18/h6-7,9,14,20H,8H2,1-5H3,(H,19,21).
What are the key properties of 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide?
2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide has a molecular weight of 315.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-methoxybenzamide is sourced from PubChem (CID 109380784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).