3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

C14H19F2NO2 — CID 103899582

IUPAC3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-14(2,6-3-7-18)9-17-13(19)10-4-5-11(15)12(16)8-10/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyNUTPOSPKXCBOJC-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.49
Rot. Bonds6

About 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide

3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 103899582) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID103899582
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(C)(CCCO)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-14(2,6-3-7-18)9-17-13(19)10-4-5-11(15)12(16)8-10/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyNUTPOSPKXCBOJC-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473
N-(4-chloro-2,2-dimethylbutyl)-3,4-difluorobenzamide
CID 114149366
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
N-(5-bromo-2,2-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 106145651
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
N-(5-hydroxy-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103899434
N-(5-hydroxy-2,2-dimethylpentyl)-4-propan-2-ylbenzamide
CID 103899537
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methoxybenzamide
CID 106139342
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide (CID 103899582) is 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is CC(C)(CCCO)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is NUTPOSPKXCBOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-14(2,6-3-7-18)9-17-13(19)10-4-5-11(15)12(16)8-10/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide?
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 271.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 103899582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).