2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide

C12H15ClN4O3 — CID 155490337

IUPAC2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide
SMILESNC(=O)CNC(=O)NCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H15ClN4O3/c13-9-4-2-1-3-8(9)5-15-11(19)7-17-12(20)16-6-10(14)18/h1-4H,5-7H2,(H2,14,18)(H,15,19)(H2,16,17,20)
InChIKeyNALVFHVPQBCISG-UHFFFAOYSA-N
MW298.73 g/mol
LogP-0.26
Rot. Bonds6

About 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide (PubChem CID 155490337) has the molecular formula C12H15ClN4O3 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide
PubChem CID155490337
Molecular FormulaC12H15ClN4O3
Molecular Weight298.73 g/mol
Exact Mass298.08
IUPAC Name2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide
SMILESNC(=O)CNC(=O)NCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H15ClN4O3/c13-9-4-2-1-3-8(9)5-15-11(19)7-17-12(20)16-6-10(14)18/h1-4H,5-7H2,(H2,14,18)(H,15,19)(H2,16,17,20)
InChIKeyNALVFHVPQBCISG-UHFFFAOYSA-N
XLogP-0.26
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide (CID 155490337) is 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide is NC(=O)CNC(=O)NCC(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide?
The InChIKey is NALVFHVPQBCISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O3/c13-9-4-2-1-3-8(9)5-15-11(19)7-17-12(20)16-6-10(14)18/h1-4H,5-7H2,(H2,14,18)(H,15,19)(H2,16,17,20).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide?
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide has a molecular weight of 298.73 g/mol, XLogP of -0.26, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]carbamoylamino]acetamide is sourced from PubChem (CID 155490337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).