2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide

C12H16FN3O2 — CID 119742065

IUPAC2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
SMILESCNCC(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-14-8-11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13/h2-5,14H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyXMNNFEUKBPVAIN-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.11
Rot. Bonds6

About 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide

2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide (PubChem CID 119742065) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
PubChem CID119742065
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
SMILESCNCC(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C12H16FN3O2/c1-14-8-11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13/h2-5,14H,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyXMNNFEUKBPVAIN-UHFFFAOYSA-N
XLogP-0.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.11
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

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N-[2-(3-aminobutanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
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N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
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2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
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N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
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2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide (CID 119742065) is 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide is CNCC(=O)NCCNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide?
The InChIKey is XMNNFEUKBPVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-14-8-11(17)15-6-7-16-12(18)9-4-2-3-5-10(9)13/h2-5,14H,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide?
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide has a molecular weight of 253.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 119742065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).