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

C14H19F2NO2 — CID 111479742

IUPAC2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO2/c1-9(18)7-14(2,3)8-17-13(19)11-6-10(15)4-5-12(11)16/h4-6,9,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyOTAHCLSEZFPHIS-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.49
Rot. Bonds5

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

2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 111479742) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID111479742
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO2/c1-9(18)7-14(2,3)8-17-13(19)11-6-10(15)4-5-12(11)16/h4-6,9,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyOTAHCLSEZFPHIS-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111480490
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
1-[2-(2,5-difluorophenyl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111603978
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
2,5-difluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248488
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301
1-[2-(2,4-difluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111480845
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide (CID 111479742) is 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide is CC(O)CC(C)(C)CNC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is OTAHCLSEZFPHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-9(18)7-14(2,3)8-17-13(19)11-6-10(15)4-5-12(11)16/h4-6,9,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 271.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 111479742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).