3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride

C13H19ClFN3O2 — CID 119506214

IUPAC3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(F)c(NC(C)=O)c1.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-3-15-6-7-16-13(19)10-4-5-11(14)12(8-10)17-9(2)18;/h4-5,8,15H,3,6-7H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyCPMVMBGSBGURJC-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.55
Rot. Bonds6

About 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride

3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119506214) has the molecular formula C13H19ClFN3O2 and a molecular weight of 303.77 g/mol. Its IUPAC name is 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
PubChem CID119506214
Molecular FormulaC13H19ClFN3O2
Molecular Weight303.77 g/mol
Exact Mass303.11
IUPAC Name3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(F)c(NC(C)=O)c1.Cl
InChIInChI=1S/C13H18FN3O2.ClH/c1-3-15-6-7-16-13(19)10-4-5-11(14)12(8-10)17-9(2)18;/h4-5,8,15H,3,6-7H2,1-2H3,(H,16,19)(H,17,18);1H
InChIKeyCPMVMBGSBGURJC-UHFFFAOYSA-N
XLogP1.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-[2-(ethylamino)ethyl]-3-fluoro-4-iodobenzamide
CID 119508880
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119619954
3-acetamido-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 51091819
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
3-acetamido-N-[2-(N-ethyl-2-methylanilino)ethyl]-4-fluorobenzamide
CID 60571271
3-bromo-N-[2-(ethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 119508624
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957
3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide
CID 75448856
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride (CID 119506214) is 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride is CCNCCNC(=O)c1ccc(F)c(NC(C)=O)c1.Cl.
What is the InChIKey of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is CPMVMBGSBGURJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2.ClH/c1-3-15-6-7-16-13(19)10-4-5-11(14)12(8-10)17-9(2)18;/h4-5,8,15H,3,6-7H2,1-2H3,(H,16,19)(H,17,18);1H.
What are the key properties of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride?
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 303.77 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).