2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C10H13ClF2N2O — CID 119504020

IUPAC2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(F)c1F.Cl
InChIInChI=1S/C10H12F2N2O.ClH/c1-13-5-6-14-10(15)7-3-2-4-8(11)9(7)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyIGPLWSHJLVFUKQ-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.34
Rot. Bonds4

About 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119504020) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119504020
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(F)c1F.Cl
InChIInChI=1S/C10H12F2N2O.ClH/c1-13-5-6-14-10(15)7-3-2-4-8(11)9(7)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyIGPLWSHJLVFUKQ-UHFFFAOYSA-N
XLogP1.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2,3-difluoro-N-[2-methyl-3-(methylamino)propyl]benzamide;hydrochloride
CID 91645374
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
2,3-difluoro-N-(2-methylsulfonylethyl)benzamide
CID 62650533
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119504020) is 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1cccc(F)c1F.Cl.
What is the InChIKey of 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is IGPLWSHJLVFUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O.ClH/c1-13-5-6-14-10(15)7-3-2-4-8(11)9(7)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H.
What are the key properties of 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119504020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).