2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide

C11H13FN4O3 — CID 63110451

IUPAC2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H13FN4O3/c12-6-1-2-7(8(13)3-6)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5,13H2,(H2,14,17)(H2,15,18)
InChIKeyBECUTOMMVHQGOM-UHFFFAOYSA-N
MW268.25 g/mol
LogP-1.18
Rot. Bonds5

About 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide

2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide (PubChem CID 63110451) has the molecular formula C11H13FN4O3 and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
PubChem CID63110451
Molecular FormulaC11H13FN4O3
Molecular Weight268.25 g/mol
Exact Mass268.10
IUPAC Name2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H13FN4O3/c12-6-1-2-7(8(13)3-6)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5,13H2,(H2,14,17)(H2,15,18)
InChIKeyBECUTOMMVHQGOM-UHFFFAOYSA-N
XLogP-1.18
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
CID 107433914
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-N-benzyl-N-ethyl-4-fluorobenzamide
CID 63109647
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 63110267
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
2-amino-4-fluoro-N-methoxy-N-methylbenzamide
CID 63110530
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide (CID 63110451) is 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide is NC(=O)CN(CC(N)=O)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide?
The InChIKey is BECUTOMMVHQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3/c12-6-1-2-7(8(13)3-6)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5,13H2,(H2,14,17)(H2,15,18).
What are the key properties of 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide?
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide has a molecular weight of 268.25 g/mol, XLogP of -1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide is sourced from PubChem (CID 63110451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).