N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide

C12H16FN3O2 — CID 47337929

IUPACN-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
SMILESCCNC(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-2-14-12(18)16-8-7-15-11(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyWSGACLGDTBHMSI-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.87
Rot. Bonds5

About N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide

N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide (PubChem CID 47337929) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
PubChem CID47337929
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
SMILESCCNC(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-2-14-12(18)16-8-7-15-11(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyWSGACLGDTBHMSI-UHFFFAOYSA-N
XLogP0.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
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-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 110917981
diethyl-[3-[(2-fluorobenzoyl)amino]propyl]azanium chloride
CID 20787015
ethyl 4-[2-[(2-fluorobenzoyl)amino]ethylamino]-4-oxobutanoate
CID 108570798
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119742068

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide (CID 47337929) is N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide is CCNC(=O)NCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide?
The InChIKey is WSGACLGDTBHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-2-14-12(18)16-8-7-15-11(17)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide?
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide has a molecular weight of 253.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 47337929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).