2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide

C14H16BrNO2 — CID 60636105

IUPAC2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H16BrNO2/c1-4-8-16(9-5-2)14(17)12-10-11(18-3)6-7-13(12)15/h4-7,10H,1-2,8-9H2,3H3
InChIKeyJCJREWFOLVVHBG-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.27
Rot. Bonds6

About 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide

2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide (PubChem CID 60636105) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
PubChem CID60636105
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H16BrNO2/c1-4-8-16(9-5-2)14(17)12-10-11(18-3)6-7-13(12)15/h4-7,10H,1-2,8-9H2,3H3
InChIKeyJCJREWFOLVVHBG-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N,N-bis(cyanomethyl)-5-methoxybenzamide
CID 60659165
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
3-[(2-bromo-5-methoxybenzoyl)-prop-2-enylamino]-N-cyclopropyl-4-methylbenzamide
CID 67018660
2-bromo-N-(2-methoxyethyl)-N-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 103339064
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide (CID 60636105) is 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is JCJREWFOLVVHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-4-8-16(9-5-2)14(17)12-10-11(18-3)6-7-13(12)15/h4-7,10H,1-2,8-9H2,3H3.
What are the key properties of 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide?
2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 310.19 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 60636105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).