2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide

C12H15F3N4O2 — CID 62923272

IUPAC2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
SMILESNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-3-8(2-1-7(9)4-16)19(5-10(17)20)6-11(18)21/h1-3H,4-6,16H2,(H2,17,20)(H2,18,21)
InChIKeyRGLRSWCIQQUVQQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP-0.06
Rot. Bonds6

About 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide

2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide (PubChem CID 62923272) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
PubChem CID62923272
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide
SMILESNCc1ccc(N(CC(N)=O)CC(N)=O)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)9-3-8(2-1-7(9)4-16)19(5-10(17)20)6-11(18)21/h1-3H,4-6,16H2,(H2,17,20)(H2,18,21)
InChIKeyRGLRSWCIQQUVQQ-UHFFFAOYSA-N
XLogP-0.06
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide (CID 62923272) is 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide is NCc1ccc(N(CC(N)=O)CC(N)=O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is RGLRSWCIQQUVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)9-3-8(2-1-7(9)4-16)19(5-10(17)20)6-11(18)21/h1-3H,4-6,16H2,(H2,17,20)(H2,18,21).
What are the key properties of 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide?
2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 304.27 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-(2-amino-2-oxoethyl)-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 62923272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).