2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

C10H13Cl2FN2O — CID 119503921

IUPAC2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1c(F)cccc1Cl.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-13-5-6-14-10(15)9-7(11)3-2-4-8(9)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyZYQYBWCEFUOYJJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.85
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride

2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (PubChem CID 119503921) has the molecular formula C10H13Cl2FN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
PubChem CID119503921
Molecular FormulaC10H13Cl2FN2O
Molecular Weight267.13 g/mol
Exact Mass266.04
IUPAC Name2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
SMILESCNCCNC(=O)c1c(F)cccc1Cl.Cl
InChIInChI=1S/C10H12ClFN2O.ClH/c1-13-5-6-14-10(15)9-7(11)3-2-4-8(9)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H
InChIKeyZYQYBWCEFUOYJJ-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.85
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-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
CID 108575170
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
4-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 80538290
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride (CID 119503921) is 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is CNCCNC(=O)c1c(F)cccc1Cl.Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
The InChIKey is ZYQYBWCEFUOYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O.ClH/c1-13-5-6-14-10(15)9-7(11)3-2-4-8(9)12;/h2-4,13H,5-6H2,1H3,(H,14,15);1H.
What are the key properties of 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride?
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride has a molecular weight of 267.13 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119503921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).