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

C13H18FN3O2 — CID 119506215

IUPAC3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
SMILESCCNCCNC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C13H18FN3O2/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)
InChIKeyNOMXHWBGOBIBCE-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.12
Rot. Bonds6

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

3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide (PubChem CID 119506215) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
PubChem CID119506215
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
SMILESCCNCCNC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C13H18FN3O2/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)
InChIKeyNOMXHWBGOBIBCE-UHFFFAOYSA-N
XLogP1.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
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-[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
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide (CID 119506215) is 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide is CCNCCNC(=O)c1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide?
The InChIKey is NOMXHWBGOBIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/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).
What are the key properties of 3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide?
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.12, 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 is sourced from PubChem (CID 119506215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).