N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide

C17H18BrN3O2 — CID 108902379

IUPACN-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCCc1ccc(Br)cc1)c1cccc(N)c1
InChIInChI=1S/C17H18BrN3O2/c1-12(22)21(16-4-2-3-15(19)11-16)17(23)20-10-9-13-5-7-14(18)8-6-13/h2-8,11H,9-10,19H2,1H3,(H,20,23)
InChIKeyRIELDKHREJCJGH-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.34
Rot. Bonds4

About N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide

N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide (PubChem CID 108902379) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide
PubChem CID108902379
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC NameN-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide
SMILESCC(=O)N(C(=O)NCCc1ccc(Br)cc1)c1cccc(N)c1
InChIInChI=1S/C17H18BrN3O2/c1-12(22)21(16-4-2-3-15(19)11-16)17(23)20-10-9-13-5-7-14(18)8-6-13/h2-8,11H,9-10,19H2,1H3,(H,20,23)
InChIKeyRIELDKHREJCJGH-UHFFFAOYSA-N
XLogP3.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N-(3-aminophenyl)-N-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propylcarbamoyl]acetamide
CID 108889881
N'-acetyl-N'-(3-aminophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108526549
N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
CID 108908852
N-(3-aminophenyl)-N-[(4-ethoxyphenyl)methylcarbamoyl]acetamide
CID 108884466
3-[2-(4-bromophenyl)ethyl]-1-phenyl-1-sulfanylurea
CID 173263614
1-benzyl-3-[2-(4-bromophenyl)ethyl]-1-phenylurea
CID 108902393
N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
CID 108898789
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N'-acetyl-N'-(3-aminophenyl)-N-benzyloxamide
CID 108508925
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide (CID 108902379) is N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide is CC(=O)N(C(=O)NCCc1ccc(Br)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide?
The InChIKey is RIELDKHREJCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-12(22)21(16-4-2-3-15(19)11-16)17(23)20-10-9-13-5-7-14(18)8-6-13/h2-8,11H,9-10,19H2,1H3,(H,20,23).
What are the key properties of N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide?
N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide has a molecular weight of 376.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide is sourced from PubChem (CID 108902379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).