2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide

C12H17FN4O2 — CID 107113368

IUPAC2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCc1cccc(CN(CC(N)=O)CC(N)=O)c1F
InChIInChI=1S/C12H17FN4O2/c13-12-8(4-14)2-1-3-9(12)5-17(6-10(15)18)7-11(16)19/h1-3H,4-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyKAIQVEAIFSDCBG-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.94
Rot. Bonds7

About 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide

2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 107113368) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID107113368
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNCc1cccc(CN(CC(N)=O)CC(N)=O)c1F
InChIInChI=1S/C12H17FN4O2/c13-12-8(4-14)2-1-3-9(12)5-17(6-10(15)18)7-11(16)19/h1-3H,4-7,14H2,(H2,15,18)(H2,16,19)
InChIKeyKAIQVEAIFSDCBG-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-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
2-amino-6-[[bis(2-amino-2-oxoethyl)amino]methyl]benzoic acid
CID 104824645
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
2-[(3-carbamothioyl-2-fluorophenyl)methyl-methylamino]acetamide
CID 107115327
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 107113368) is 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide is NCc1cccc(CN(CC(N)=O)CC(N)=O)c1F.
What is the InChIKey of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is KAIQVEAIFSDCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-12-8(4-14)2-1-3-9(12)5-17(6-10(15)18)7-11(16)19/h1-3H,4-7,14H2,(H2,15,18)(H2,16,19).
What are the key properties of 2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[[3-(aminomethyl)-2-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-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 107113368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).