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

C12H16F2N2O2 — CID 66092192

IUPAC5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-7(2-3-17)6-16-12(18)8-4-11(15)10(14)5-9(8)13/h4-5,7,17H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyYPKDZIVSQPRTKG-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.30
Rot. Bonds5

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

5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 66092192) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID66092192
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-7(2-3-17)6-16-12(18)8-4-11(15)10(14)5-9(8)13/h4-5,7,17H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyYPKDZIVSQPRTKG-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.30
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-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
3-amino-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 66091959
4,5-difluoro-N-(4-hydroxy-2-methylbutyl)-2-nitrobenzamide
CID 66092519
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66180643
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide (CID 66092192) is 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is YPKDZIVSQPRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-7(2-3-17)6-16-12(18)8-4-11(15)10(14)5-9(8)13/h4-5,7,17H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide?
5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 258.27 g/mol, XLogP of 1.30, 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-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 66092192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).