2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide

C11H15FN4O2 — CID 102813911

IUPAC2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
SMILESNCc1cc(F)cc(N(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C11H15FN4O2/c12-8-1-7(4-13)2-9(3-8)16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
InChIKeyVQCJREVCRWKNNC-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.94
Rot. Bonds6

About 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide

2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide (PubChem CID 102813911) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
PubChem CID102813911
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide
SMILESNCc1cc(F)cc(N(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C11H15FN4O2/c12-8-1-7(4-13)2-9(3-8)16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
InChIKeyVQCJREVCRWKNNC-UHFFFAOYSA-N
XLogP-0.94
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-(4-fluorophenyl)acetamide
CID 670654
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
GW791343
CID 9848160
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278151
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2697446
2-(4-(4-fluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-phenethylacetamide
CID 16017731
2-Cyclohexylamino-N-(3-trifluoromethyl-phenyl)-acetamide
CID 856302
2-(4-Acetyl-piperazin-1-yl)-N-(5-fluoro-2-methyl-phenyl)-acetamide
CID 1448807
2-(azepan-1-yl)-N-(3-methylphenyl)acetamide
CID 1537229
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2539057

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide?
The IUPAC name of 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide (CID 102813911) is 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide is NCc1cc(F)cc(N(CC(N)=O)CC(N)=O)c1.
What is the InChIKey of 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide?
The InChIKey is VQCJREVCRWKNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c12-8-1-7(4-13)2-9(3-8)16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18).
What are the key properties of 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide?
2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide has a molecular weight of 254.26 g/mol, XLogP of -0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-N-(2-amino-2-oxoethyl)-5-fluoroanilino]acetamide is sourced from PubChem (CID 102813911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).