2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide

C14H18BrN3O2 — CID 17405753

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-3-8-16-14(20)17-13(19)10-18(2)9-11-6-4-5-7-12(11)15/h3-7H,1,8-10H2,2H3,(H2,16,17,19,20)
InChIKeyQUCNBYOBFIQMFC-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.89
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide

2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 17405753) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID17405753
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(C)Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3O2/c1-3-8-16-14(20)17-13(19)10-18(2)9-11-6-4-5-7-12(11)15/h3-7H,1,8-10H2,2H3,(H2,16,17,19,20)
InChIKeyQUCNBYOBFIQMFC-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromophenyl)methyl]-3-prop-2-enylurea
CID 108897925
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
2-[methyl(naphthalen-1-yl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 60572967
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 39780269
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 26430688
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[(2-bromophenyl)methyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 87013075
4-[(2-bromophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 77006236
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 27204661

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide (CID 17405753) is 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is QUCNBYOBFIQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-3-8-16-14(20)17-13(19)10-18(2)9-11-6-4-5-7-12(11)15/h3-7H,1,8-10H2,2H3,(H2,16,17,19,20).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 340.22 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 17405753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).