N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide

C17H16BrN3O2 — CID 108908852

IUPACN-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
SMILESCC(=O)N(C(=O)N/C=C/c1ccc(Br)cc1)c1cccc(N)c1
InChIInChI=1S/C17H16BrN3O2/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/h2-11H,19H2,1H3,(H,20,23)/b10-9+
InChIKeyXPSVJZLTYIZFNV-MDZDMXLPSA-N
MW374.24 g/mol
LogP3.76
Rot. Bonds3

About N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide

N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide (PubChem CID 108908852) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
PubChem CID108908852
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
SMILESCC(=O)N(C(=O)N/C=C/c1ccc(Br)cc1)c1cccc(N)c1
InChIInChI=1S/C17H16BrN3O2/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/h2-11H,19H2,1H3,(H,20,23)/b10-9+
InChIKeyXPSVJZLTYIZFNV-MDZDMXLPSA-N
XLogP3.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.76
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-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide
CID 108905876
N-(3-aminophenyl)-N-[2-(4-bromophenyl)ethylcarbamoyl]acetamide
CID 108902379
3-[(E)-2-(3-bromophenyl)ethenyl]-1-methyl-1-phenylurea
CID 108906945
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
N-(3-aminophenyl)-N-[(3,4,5-trihydroxyphenyl)carbamoyl]acetamide
CID 108871858
N-(3-aminophenyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884825
N-(3-aminophenyl)-N-[(2-iodophenyl)carbamoyl]acetamide
CID 108868989
N-(3-aminophenyl)-N-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propylcarbamoyl]acetamide
CID 108889881
N-(3-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899099
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide (CID 108908852) is N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide is CC(=O)N(C(=O)N/C=C/c1ccc(Br)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide?
The InChIKey is XPSVJZLTYIZFNV-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16BrN3O2/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/h2-11H,19H2,1H3,(H,20,23)/b10-9+.
What are the key properties of N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide?
N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide has a molecular weight of 374.24 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide is sourced from PubChem (CID 108908852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).