N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride

C11H14Cl2F2N2O — CID 119583838

IUPACN-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(F)c(F)cc1Cl.Cl
InChIInChI=1S/C11H13ClF2N2O.ClH/c1-6(5-15)16(2)11(17)7-3-9(13)10(14)4-8(7)12;/h3-4,6H,5,15H2,1-2H3;1H
InChIKeyJCXHJSHMCGFTPF-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.46
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride (PubChem CID 119583838) has the molecular formula C11H14Cl2F2N2O and a molecular weight of 299.15 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
PubChem CID119583838
Molecular FormulaC11H14Cl2F2N2O
Molecular Weight299.15 g/mol
Exact Mass298.05
IUPAC NameN-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride
SMILESCC(CN)N(C)C(=O)c1cc(F)c(F)cc1Cl.Cl
InChIInChI=1S/C11H13ClF2N2O.ClH/c1-6(5-15)16(2)11(17)7-3-9(13)10(14)4-8(7)12;/h3-4,6H,5,15H2,1-2H3;1H
InChIKeyJCXHJSHMCGFTPF-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(1-aminopropan-2-yl)-2,4-dichloro-N-methyl-5-methylsulfanylbenzamide
CID 119582773
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
2-[(2-chloro-4,5-difluorobenzoyl)-methylamino]propanoic acid
CID 62626388
N-(1-aminopropan-2-yl)-2,4-difluoro-N,5-dimethylbenzamide;hydrochloride
CID 119581694
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
N-(1-aminopropan-2-yl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119582463
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297
N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
CID 86780016
N-butan-2-yl-2,4-dichloro-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65386227
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(1-aminopropan-2-yl)-5-bromo-2-fluoro-N-methyl-3-methylsulfonylbenzamide
CID 119583669

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride (CID 119583838) is N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride is CC(CN)N(C)C(=O)c1cc(F)c(F)cc1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride?
The InChIKey is JCXHJSHMCGFTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O.ClH/c1-6(5-15)16(2)11(17)7-3-9(13)10(14)4-8(7)12;/h3-4,6H,5,15H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-chloro-4,5-difluoro-N-methylbenzamide;hydrochloride has a molecular weight of 299.15 g/mol, XLogP of 2.46, 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-4,5-difluoro-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119583838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).