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

C14H20F2N2O2 — CID 66180643

IUPAC5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-8(2)6-14(3,20)7-18-13(19)9-4-12(17)11(16)5-10(9)15/h4-5,8,20H,6-7,17H2,1-3H3,(H,18,19)
InChIKeyISKRFBRXMXDIOJ-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.07
Rot. Bonds5

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

5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (PubChem CID 66180643) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
PubChem CID66180643
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C14H20F2N2O2/c1-8(2)6-14(3,20)7-18-13(19)9-4-12(17)11(16)5-10(9)15/h4-5,8,20H,6-7,17H2,1-3H3,(H,18,19)
InChIKeyISKRFBRXMXDIOJ-UHFFFAOYSA-N
XLogP2.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66181038
5-amino-N-(2-ethoxy-2-methylpropyl)-2,4-difluorobenzamide
CID 114940280
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
4-chloro-3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107989597
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
2-(ethylamino)-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66172270
N-(2-hydroxy-2,4-dimethylpentyl)-2-iodobenzamide
CID 66178734
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (CID 66180643) is 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is CC(C)CC(C)(O)CNC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The InChIKey is ISKRFBRXMXDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-8(2)6-14(3,20)7-18-13(19)9-4-12(17)11(16)5-10(9)15/h4-5,8,20H,6-7,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide has a molecular weight of 286.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is sourced from PubChem (CID 66180643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).