2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide

C12H16FN5O3 — CID 62924177

IUPAC2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H16FN5O3/c13-8-2-1-7(14)3-9(8)17-12(21)6-18(4-10(15)19)5-11(16)20/h1-3H,4-6,14H2,(H2,15,19)(H2,16,20)(H,17,21)
InChIKeyMAPKSUDLEAKEMQ-UHFFFAOYSA-N
MW297.29 g/mol
LogP-1.38
Rot. Bonds7

About 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62924177) has the molecular formula C12H16FN5O3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62924177
Molecular FormulaC12H16FN5O3
Molecular Weight297.29 g/mol
Exact Mass297.12
IUPAC Name2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C12H16FN5O3/c13-8-2-1-7(14)3-9(8)17-12(21)6-18(4-10(15)19)5-11(16)20/h1-3H,4-6,14H2,(H2,15,19)(H2,16,20)(H,17,21)
InChIKeyMAPKSUDLEAKEMQ-UHFFFAOYSA-N
XLogP-1.38
TPSA144.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924176
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-2-(N,3-dimethylanilino)acetamide
CID 62002218
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(5-amino-2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66116080

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 62924177) is 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)CC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is MAPKSUDLEAKEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O3/c13-8-2-1-7(14)3-9(8)17-12(21)6-18(4-10(15)19)5-11(16)20/h1-3H,4-6,14H2,(H2,15,19)(H2,16,20)(H,17,21).
What are the key properties of 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 297.29 g/mol, XLogP of -1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62924177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).