2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide

C14H19F2NO2 — CID 71690349

IUPAC2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)C(O)CCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c1-14(2,3)11(18)7-8-17-13(19)12-9(15)5-4-6-10(12)16/h4-6,11,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyLAEZHVYNIAJFJR-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.49
Rot. Bonds4

About 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide

2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 71690349) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID71690349
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)C(O)CCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H19F2NO2/c1-14(2,3)11(18)7-8-17-13(19)12-9(15)5-4-6-10(12)16/h4-6,11,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyLAEZHVYNIAJFJR-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-(3-hydroxy-4,4-dimethylpentyl)-4-(trifluoromethyl)benzamide
CID 71787595
2-(4-fluorophenyl)-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]acetamide
CID 95741027
2-ethylsulfanyl-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984626
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]thiophene-2-carboxamide
CID 95740854
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-(3-hydroxy-4,4-dimethylpentyl)-2-nitrobenzamide
CID 90523368
4-ethyl-N-[(3R)-3-hydroxy-4,4-dimethylpentyl]benzamide
CID 95984599

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide (CID 71690349) is 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide is CC(C)(C)C(O)CCNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is LAEZHVYNIAJFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-14(2,3)11(18)7-8-17-13(19)12-9(15)5-4-6-10(12)16/h4-6,11,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide?
2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 271.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 71690349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).