N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide

C15H23FN2O2 — CID 81487072

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)8-15(3,9-17)18-14(19)11-5-6-13(20-4)12(16)7-11/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyJXFAKTGMLUPXQI-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.33
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 81487072) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
PubChem CID81487072
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)8-15(3,9-17)18-14(19)11-5-6-13(20-4)12(16)7-11/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyJXFAKTGMLUPXQI-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119598009
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-[(2S)-1-amino-2,4-dimethyl-1-oxopentan-2-yl]-4-fluoro-3-methoxybenzamide
CID 97321512
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-ethylpiperazin-1-yl)-3-fluorobenzamide
CID 119598813
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide (CID 81487072) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is JXFAKTGMLUPXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)8-15(3,9-17)18-14(19)11-5-6-13(20-4)12(16)7-11/h5-7,10H,8-9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 282.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 81487072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).