N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride

C11H15Cl2FN2O — CID 119584840

IUPACN-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c1-7(6-14)15(2)11(16)9-4-3-8(13)5-10(9)12;/h3-5,7H,6,14H2,1-2H3;1H
InChIKeyDMWJEGVOSACVQE-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.32
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride (PubChem CID 119584840) has the molecular formula C11H15Cl2FN2O and a molecular weight of 281.16 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
PubChem CID119584840
Molecular FormulaC11H15Cl2FN2O
Molecular Weight281.16 g/mol
Exact Mass280.05
IUPAC NameN-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C11H14ClFN2O.ClH/c1-7(6-14)15(2)11(16)9-4-3-8(13)5-10(9)12;/h3-5,7H,6,14H2,1-2H3;1H
InChIKeyDMWJEGVOSACVQE-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
CID 119583838
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
N-(1-aminopropan-2-yl)-2,4-dichloro-N-methyl-5-methylsulfanylbenzamide
CID 119582773
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119582463
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 54992211
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 119582582
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(1-aminopropan-2-yl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119582221

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride (CID 119584840) is N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride is CC(CN)N(C)C(=O)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride?
The InChIKey is DMWJEGVOSACVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O.ClH/c1-7(6-14)15(2)11(16)9-4-3-8(13)5-10(9)12;/h3-5,7H,6,14H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride has a molecular weight of 281.16 g/mol, XLogP of 2.32, 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)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119584840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).