N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride

C12H18ClFN2O — CID 119504618

IUPACN-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(C)cc(F)c1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-3-14-4-5-15-12(16)10-6-9(2)7-11(13)8-10;/h6-8,14H,3-5H2,1-2H3,(H,15,16);1H
InChIKeyZBGZWGSNHHHPCE-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride (PubChem CID 119504618) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
PubChem CID119504618
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC NameN-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(C)cc(F)c1.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-3-14-4-5-15-12(16)10-6-9(2)7-11(13)8-10;/h6-8,14H,3-5H2,1-2H3,(H,15,16);1H
InChIKeyZBGZWGSNHHHPCE-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.90
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

N-[2-(ethylamino)ethyl]-3,5-dimethylbenzamide;hydrochloride
CID 119506515
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
3,5-difluoro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62658425
N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide
CID 119508880
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride (CID 119504618) is N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride is CCNCCNC(=O)c1cc(C)cc(F)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride?
The InChIKey is ZBGZWGSNHHHPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-3-14-4-5-15-12(16)10-6-9(2)7-11(13)8-10;/h6-8,14H,3-5H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride is sourced from PubChem (CID 119504618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).