N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide

C14H20BrFN2O — CID 81486385

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-9(2)7-14(3,8-17)18-13(19)11-5-4-10(16)6-12(11)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyQNGVLJLXWJDXNX-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.08
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide (PubChem CID 81486385) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
PubChem CID81486385
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-9(2)7-14(3,8-17)18-13(19)11-5-4-10(16)6-12(11)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyQNGVLJLXWJDXNX-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119599327
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119598659
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872338
N-(1-amino-2,4-dimethylpentan-2-yl)-3-bromo-2-methylbenzamide
CID 81485460
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369688
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide (CID 81486385) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide is CC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide?
The InChIKey is QNGVLJLXWJDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-9(2)7-14(3,8-17)18-13(19)11-5-4-10(16)6-12(11)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide has a molecular weight of 331.23 g/mol, XLogP of 3.08, 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)-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 81486385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).