N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride

C12H18ClFN2O — CID 86780016

IUPACN-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(F)cc(C(=O)N(C)C(C)CN)c1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-8-4-10(6-11(13)5-8)12(16)15(3)9(2)7-14;/h4-6,9H,7,14H2,1-3H3;1H
InChIKeyPXYMLQQMOQAOHM-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.98
Rot. Bonds3

About N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride (PubChem CID 86780016) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
PubChem CID86780016
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC NameN-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
SMILESCc1cc(F)cc(C(=O)N(C)C(C)CN)c1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-8-4-10(6-11(13)5-8)12(16)15(3)9(2)7-14;/h4-6,9H,7,14H2,1-3H3;1H
InChIKeyPXYMLQQMOQAOHM-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
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N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-2,6-difluoro-N,3-dimethylbenzamide
CID 113426493
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(4-amino-4-oxobutan-2-yl)-3-chloro-5-fluoro-N-methylbenzamide
CID 131899534
2-[(3-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 112700735
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride (CID 86780016) is N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride is Cc1cc(F)cc(C(=O)N(C)C(C)CN)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride?
The InChIKey is PXYMLQQMOQAOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-8-4-10(6-11(13)5-8)12(16)15(3)9(2)7-14;/h4-6,9H,7,14H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 86780016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).