N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide

C14H18BrN3O2 — CID 86817115

IUPACN-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide
SMILESC=C(C)CNC(=O)NCC(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C14H18BrN3O2/c1-9(2)7-16-14(20)17-8-13(19)18-12-6-11(15)5-4-10(12)3/h4-6H,1,7-8H2,2-3H3,(H,18,19)(H2,16,17,20)
InChIKeyGEJSODACPNLCGB-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.57
Rot. Bonds5

About N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide

N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide (PubChem CID 86817115) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide
PubChem CID86817115
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide
SMILESC=C(C)CNC(=O)NCC(=O)Nc1cc(Br)ccc1C
InChIInChI=1S/C14H18BrN3O2/c1-9(2)7-16-14(20)17-8-13(19)18-12-6-11(15)5-4-10(12)3/h4-6H,1,7-8H2,2-3H3,(H,18,19)(H2,16,17,20)
InChIKeyGEJSODACPNLCGB-UHFFFAOYSA-N
XLogP2.57
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide (CID 86817115) is N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide is C=C(C)CNC(=O)NCC(=O)Nc1cc(Br)ccc1C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide?
The InChIKey is GEJSODACPNLCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9(2)7-16-14(20)17-8-13(19)18-12-6-11(15)5-4-10(12)3/h4-6H,1,7-8H2,2-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide?
N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide has a molecular weight of 340.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-(2-methylprop-2-enylcarbamoylamino)acetamide is sourced from PubChem (CID 86817115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).