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

C15H23FN2O — CID 81486078

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)8-15(4,9-17)18-14(19)12-6-5-11(3)13(16)7-12/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyHJKMVHWFEAWPKE-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.63
Rot. Bonds5

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

N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide (PubChem CID 81486078) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
PubChem CID81486078
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CN)CC(C)C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10(2)8-15(4,9-17)18-14(19)12-6-5-11(3)13(16)7-12/h5-7,10H,8-9,17H2,1-4H3,(H,18,19)
InChIKeyHJKMVHWFEAWPKE-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119600348
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
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-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide (CID 81486078) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide is Cc1ccc(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-methylbenzamide?
The InChIKey is HJKMVHWFEAWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)8-15(4,9-17)18-14(19)12-6-5-11(3)13(16)7-12/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-methylbenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide has a molecular weight of 266.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 81486078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).