2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide

C12H17FN4O2 — CID 63289211

IUPAC2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCc1cc(F)ccc1CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17FN4O2/c13-10-2-1-8(9(3-10)4-14)5-17(6-11(15)18)7-12(16)19/h1-3H,4-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyDXENQCFDYLVSKM-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.94
Rot. Bonds7

About 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide

2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 63289211) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID63289211
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCc1cc(F)ccc1CN(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H17FN4O2/c13-10-2-1-8(9(3-10)4-14)5-17(6-11(15)18)7-12(16)19/h1-3H,4-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyDXENQCFDYLVSKM-UHFFFAOYSA-N
XLogP-0.94
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-[(2-amino-2-oxoethyl)-[(2-cyano-4-fluorophenyl)methyl]amino]acetic acid
CID 107440261
2-(aminomethyl)-4-fluorobenzamide
CID 174538436
2-[2-(aminomethyl)-N-cyclopentyl-4-fluoroanilino]acetamide
CID 54989142
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
2-[[4-(aminomethyl)-3-methoxyphenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 106785478
N'-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63289416
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
3-[2-(aminomethyl)-5-fluorophenyl]prop-2-enamide
CID 169481768
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
bis[2-(aminomethyl)-4-fluorophenyl]methanone
CID 67036129

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 63289211) is 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide is NCc1cc(F)ccc1CN(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is DXENQCFDYLVSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-10-2-1-8(9(3-10)4-14)5-17(6-11(15)18)7-12(16)19/h1-3H,4-7,14H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 268.29 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 63289211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).