N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride

C14H21Cl2FN2O — CID 119600052

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H20ClFN2O.ClH/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);1H
InChIKeyMVKHNGHERKVRAN-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.39
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride (PubChem CID 119600052) has the molecular formula C14H21Cl2FN2O and a molecular weight of 323.24 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
PubChem CID119600052
Molecular FormulaC14H21Cl2FN2O
Molecular Weight323.24 g/mol
Exact Mass322.10
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H20ClFN2O.ClH/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);1H
InChIKeyMVKHNGHERKVRAN-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzamide
CID 81486385
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)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
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)-4,5-difluoro-2-iodobenzamide;hydrochloride
CID 119598136
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
CID 103807187
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115309822
N-(1-amino-2,4-dimethylpentan-2-yl)-2,4-dibromobenzamide
CID 107940162
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride (CID 119600052) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride?
The InChIKey is MVKHNGHERKVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O.ClH/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);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride has a molecular weight of 323.24 g/mol, XLogP of 3.39, 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-chloro-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119600052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).