N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide

C11H14BrN3O2 — CID 108869300

IUPACN-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrN3O2/c1-8(16)15(7-6-13)11(17)14-10-4-2-9(12)3-5-10/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyJEURPSYVLLVORN-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.79
Rot. Bonds3

About N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide (PubChem CID 108869300) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
PubChem CID108869300
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrN3O2/c1-8(16)15(7-6-13)11(17)14-10-4-2-9(12)3-5-10/h2-5H,6-7,13H2,1H3,(H,14,17)
InChIKeyJEURPSYVLLVORN-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884864
N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895560
N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873405
ethyl N-(2-aminoethyl)-N-[(4-methylphenyl)carbamoyl]carbamate
CID 108866518
N'-acetyl-N'-(2-aminoethyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108531302
3-(4-bromophenyl)-1-tert-butyl-1-ethylurea
CID 108869301
methyl 4-[[2-[acetyl(2-aminoethyl)amino]-2-oxoacetyl]amino]benzoate
CID 108528160
N-(2-aminoethyl)-N-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]acetamide
CID 108887446
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
(4-bromophenyl)urea
CID 16074
N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
CID 108812739

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide (CID 108869300) is N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide?
The InChIKey is JEURPSYVLLVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-8(16)15(7-6-13)11(17)14-10-4-2-9(12)3-5-10/h2-5H,6-7,13H2,1H3,(H,14,17).
What are the key properties of N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide has a molecular weight of 300.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide is sourced from PubChem (CID 108869300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).