N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide

C11H13BrN2O — CID 169466523

IUPACN-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Br)cc1N
InChIInChI=1S/C11H13BrN2O/c1-8(15)14-6-2-3-9-4-5-10(12)7-11(9)13/h2-5,7H,6,13H2,1H3,(H,14,15)
InChIKeyXMBRGUOHIVTRJY-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.18
Rot. Bonds3

About N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide

N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide (PubChem CID 169466523) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
PubChem CID169466523
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc(Br)cc1N
InChIInChI=1S/C11H13BrN2O/c1-8(15)14-6-2-3-9-4-5-10(12)7-11(9)13/h2-5,7H,6,13H2,1H3,(H,14,15)
InChIKeyXMBRGUOHIVTRJY-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromo-4-chlorophenyl)prop-2-enyl]acetamide
CID 169466504
N-[3-(4-amino-2,5-dichlorophenyl)prop-2-enyl]acetamide
CID 169465500
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465555
N-[3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466076
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
N-[3-(3-amino-2-nitrophenyl)prop-2-enyl]acetamide
CID 169465811
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-[2-(aminomethyl)-4-fluorophenyl]prop-2-enyl]acetamide
CID 169465434
N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]acetamide
CID 169465223
N-[3-(2-amino-3-pyridinyl)prop-2-enyl]acetamide
CID 169464873
N-[3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enyl]acetamide
CID 169465372
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide (CID 169466523) is N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc(Br)cc1N.
What is the InChIKey of N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide?
The InChIKey is XMBRGUOHIVTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-8(15)14-6-2-3-9-4-5-10(12)7-11(9)13/h2-5,7H,6,13H2,1H3,(H,14,15).
What are the key properties of N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide?
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide has a molecular weight of 269.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).