N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride

C13H20ClFN2O — CID 119605448

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H
InChIKeyFBUJSZGGTAIQFQ-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.35
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride (PubChem CID 119605448) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
PubChem CID119605448
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cccc(F)c1.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H
InChIKeyFBUJSZGGTAIQFQ-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119605904
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N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
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CID 119607062
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N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
N-(1-amino-2-phenylpropan-2-yl)-3-fluorobenzamide
CID 105060344
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
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CID 115310480

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride (CID 119605448) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cccc(F)c1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride?
The InChIKey is FBUJSZGGTAIQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-9(2)13(3,8-15)16-12(17)10-5-4-6-11(14)7-10;/h4-7,9H,8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119605448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).