2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide

C11H15ClN4O2 — CID 62923094

IUPAC2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
SMILESNCc1cc(Cl)ccc1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H15ClN4O2/c12-8-1-2-9(7(3-8)4-13)16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
InChIKeyGTANBTRWABRBSI-UHFFFAOYSA-N
MW270.72 g/mol
LogP-0.42
Rot. Bonds6

About 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide

2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide (PubChem CID 62923094) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
PubChem CID62923094
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
SMILESNCc1cc(Cl)ccc1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H15ClN4O2/c12-8-1-2-9(7(3-8)4-13)16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
InChIKeyGTANBTRWABRBSI-UHFFFAOYSA-N
XLogP-0.42
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide?
The IUPAC name of 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide (CID 62923094) is 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide is NCc1cc(Cl)ccc1N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide?
The InChIKey is GTANBTRWABRBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-8-1-2-9(7(3-8)4-13)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-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide?
2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide has a molecular weight of 270.72 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide is sourced from PubChem (CID 62923094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).