N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide

C14H21FN2O2 — CID 103939907

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,9-17(3)4)8-16-13(19)11-6-5-10(18)7-12(11)15/h5-7,18H,8-9H2,1-4H3,(H,16,19)
InChIKeyDMMKJAJNALEDNG-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.85
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 103939907) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
PubChem CID103939907
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,9-17(3)4)8-16-13(19)11-6-5-10(18)7-12(11)15/h5-7,18H,8-9H2,1-4H3,(H,16,19)
InChIKeyDMMKJAJNALEDNG-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,2-dimethylpentyl)-2-fluoro-4-hydroxybenzamide
CID 106141044
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(ethylamino)-3-fluorobenzamide
CID 62650035
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
2-fluoro-4-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 104929813
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide (CID 103939907) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide is CN(C)CC(C)(C)CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is DMMKJAJNALEDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,9-17(3)4)8-16-13(19)11-6-5-10(18)7-12(11)15/h5-7,18H,8-9H2,1-4H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 103939907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).