3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide

C12H13BrClNO — CID 103993167

IUPAC3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H13BrClNO/c1-8(2)7-15(3)12(16)9-5-4-6-10(13)11(9)14/h4-6H,1,7H2,2-3H3
InChIKeySOJRKXOIJGKSML-UHFFFAOYSA-N
MW302.60 g/mol
LogP3.75
Rot. Bonds3

About 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide

3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 103993167) has the molecular formula C12H13BrClNO and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID103993167
Molecular FormulaC12H13BrClNO
Molecular Weight302.60 g/mol
Exact Mass300.99
IUPAC Name3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C12H13BrClNO/c1-8(2)7-15(3)12(16)9-5-4-6-10(13)11(9)14/h4-6H,1,7H2,2-3H3
InChIKeySOJRKXOIJGKSML-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-bromo-2-chlorobenzoyl)-methylamino]acetate
CID 103994339
3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
CID 103988541
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
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2-bromo-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968411
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-2-chloro-N-methylbenzamide
CID 113402939
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 106502176
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
3-bromo-2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103975419
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide (CID 103993167) is 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(C)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is SOJRKXOIJGKSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO/c1-8(2)7-15(3)12(16)9-5-4-6-10(13)11(9)14/h4-6H,1,7H2,2-3H3.
What are the key properties of 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide?
3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 302.60 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 103993167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).