5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide

C11H14FN3O3 — CID 106233330

IUPAC5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
SMILESNC(=O)COCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H14FN3O3/c12-9-2-1-7(13)5-8(9)11(17)15-3-4-18-6-10(14)16/h1-2,5H,3-4,6,13H2,(H2,14,16)(H,15,17)
InChIKeyQGJWNNOERQCDGT-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.36
Rot. Bonds6

About 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide (PubChem CID 106233330) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
PubChem CID106233330
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
SMILESNC(=O)COCCNC(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H14FN3O3/c12-9-2-1-7(13)5-8(9)11(17)15-3-4-18-6-10(14)16/h1-2,5H,3-4,6,13H2,(H2,14,16)(H,15,17)
InChIKeyQGJWNNOERQCDGT-UHFFFAOYSA-N
XLogP-0.36
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
CID 106241159
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 106240624
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
CID 106233325
5-amino-2-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 61238534
5-amino-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63980674

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide (CID 106233330) is 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide is NC(=O)COCCNC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide?
The InChIKey is QGJWNNOERQCDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c12-9-2-1-7(13)5-8(9)11(17)15-3-4-18-6-10(14)16/h1-2,5H,3-4,6,13H2,(H2,14,16)(H,15,17).
What are the key properties of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide?
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide has a molecular weight of 255.25 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 106233330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).