2-bromo-N-but-3-en-2-yl-5-chlorobenzamide

C11H11BrClNO — CID 103750071

IUPAC2-bromo-N-but-3-en-2-yl-5-chlorobenzamide
SMILESC=CC(C)NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H11BrClNO/c1-3-7(2)14-11(15)9-6-8(13)4-5-10(9)12/h3-7H,1H2,2H3,(H,14,15)
InChIKeyUITVYPVAEUFJPD-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.41
Rot. Bonds3

About 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide

2-bromo-N-but-3-en-2-yl-5-chlorobenzamide (PubChem CID 103750071) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-but-3-en-2-yl-5-chlorobenzamide
PubChem CID103750071
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name2-bromo-N-but-3-en-2-yl-5-chlorobenzamide
SMILESC=CC(C)NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H11BrClNO/c1-3-7(2)14-11(15)9-6-8(13)4-5-10(9)12/h3-7H,1H2,2H3,(H,14,15)
InChIKeyUITVYPVAEUFJPD-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-5-chloro-2-nitrobenzamide
CID 115692165
(2R)-2-[(2-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 99851723
2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
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2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
1-[(2-bromo-5-chlorobenzoyl)amino]-3-methylthiourea
CID 165411080
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
CID 113265782
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
2-bromo-5-(but-3-en-2-ylcarbamoylamino)benzoic acid
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2-bromo-5-chloro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461022
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide?
The IUPAC name of 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide (CID 103750071) is 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide?
The canonical SMILES for 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide is C=CC(C)NC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide?
The InChIKey is UITVYPVAEUFJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-3-7(2)14-11(15)9-6-8(13)4-5-10(9)12/h3-7H,1H2,2H3,(H,14,15).
What are the key properties of 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide?
2-bromo-N-but-3-en-2-yl-5-chlorobenzamide has a molecular weight of 288.57 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-but-3-en-2-yl-5-chlorobenzamide is sourced from PubChem (CID 103750071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).