4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

C12H16F2N2O2 — CID 79385577

IUPAC4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-12(2,18)6-16(3)11(17)7-4-8(13)10(15)9(14)5-7/h4-5,18H,6,15H2,1-3H3
InChIKeyUEWCYJZZNNHZNX-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.39
Rot. Bonds3

About 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 79385577) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
PubChem CID79385577
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-12(2,18)6-16(3)11(17)7-4-8(13)10(15)9(14)5-7/h4-5,18H,6,15H2,1-3H3
InChIKeyUEWCYJZZNNHZNX-UHFFFAOYSA-N
XLogP1.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
3-[2-fluoro-4-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 79379527
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79385580
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
CID 81002742
N-(2,2-dimethylpropyl)-3,5-difluoro-N-methyl-4-(methylamino)benzamide
CID 63185670
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79382052
3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
CID 111543227

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (CID 79385577) is 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is CN(CC(C)(C)O)C(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is UEWCYJZZNNHZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-12(2,18)6-16(3)11(17)7-4-8(13)10(15)9(14)5-7/h4-5,18H,6,15H2,1-3H3.
What are the key properties of 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 258.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 79385577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).