N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide

C14H21FN2O2 — CID 106141044

IUPACN-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
SMILESCC(C)(CCCN)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,6-3-7-16)9-17-13(19)11-5-4-10(18)8-12(11)15/h4-5,8,18H,3,6-7,9,16H2,1-2H3,(H,17,19)
InChIKeyVWSPYTIISIYELO-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.03
Rot. Bonds6

About N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide

N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 106141044) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
PubChem CID106141044
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
SMILESCC(C)(CCCN)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,6-3-7-16)9-17-13(19)11-5-4-10(18)8-12(11)15/h4-5,8,18H,3,6-7,9,16H2,1-2H3,(H,17,19)
InChIKeyVWSPYTIISIYELO-UHFFFAOYSA-N
XLogP2.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677101
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
N-(5-chloro-2,2-dimethylpentyl)-2-fluoro-4-nitrobenzamide
CID 106144516
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106139698
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide (CID 106141044) is N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide is CC(C)(CCCN)CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is VWSPYTIISIYELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,6-3-7-16)9-17-13(19)11-5-4-10(18)8-12(11)15/h4-5,8,18H,3,6-7,9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide?
N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 268.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 106141044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).