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

C12H16ClN5O3 — CID 62921849

IUPAC2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClN5O3/c13-8-3-7(14)1-2-9(8)17-12(21)6-18(4-10(15)19)5-11(16)20/h1-3H,4-6,14H2,(H2,15,19)(H2,16,20)(H,17,21)
InChIKeySGXQJRQBILJYJI-UHFFFAOYSA-N
MW313.75 g/mol
LogP-0.87
Rot. Bonds7

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

2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 62921849) has the molecular formula C12H16ClN5O3 and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID62921849
Molecular FormulaC12H16ClN5O3
Molecular Weight313.75 g/mol
Exact Mass313.09
IUPAC Name2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClN5O3/c13-8-3-7(14)1-2-9(8)17-12(21)6-18(4-10(15)19)5-11(16)20/h1-3H,4-6,14H2,(H2,15,19)(H2,16,20)(H,17,21)
InChIKeySGXQJRQBILJYJI-UHFFFAOYSA-N
XLogP-0.87
TPSA144.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(4-amino-2-chlorophenyl)-2-(N,2-dimethylanilino)acetamide
CID 62003331
2-[(2-amino-2-oxoethyl)-[2-(4-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 107440209
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide (CID 62921849) is 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)CC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is SGXQJRQBILJYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O3/c13-8-3-7(14)1-2-9(8)17-12(21)6-18(4-10(15)19)5-11(16)20/h1-3H,4-6,14H2,(H2,15,19)(H2,16,20)(H,17,21).
What are the key properties of 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide?
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 313.75 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 62921849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).