2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide

C11H11Cl2NO — CID 115766012

IUPAC2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
SMILESC=C(Cl)CNC(=O)c1cccc(C)c1Cl
InChIInChI=1S/C11H11Cl2NO/c1-7-4-3-5-9(10(7)13)11(15)14-6-8(2)12/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyXBNTZNBVXFPLHT-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide

2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide (PubChem CID 115766012) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
PubChem CID115766012
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
SMILESC=C(Cl)CNC(=O)c1cccc(C)c1Cl
InChIInChI=1S/C11H11Cl2NO/c1-7-4-3-5-9(10(7)13)11(15)14-6-8(2)12/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyXBNTZNBVXFPLHT-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974
(2S)-3-[(2-chloro-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833154
methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
CID 103492705
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
N-(2-bromoprop-2-enyl)-2,3-dichlorobenzamide
CID 47439235
N-[2-(bromomethyl)-2-ethylbutyl]-2-chloro-3-methylbenzamide
CID 114164820
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
CID 103848640
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
2-chloro-N-(4-chlorobutan-2-yl)-3-methylbenzamide
CID 83178225
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide?
The IUPAC name of 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide (CID 115766012) is 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide is C=C(Cl)CNC(=O)c1cccc(C)c1Cl.
What is the InChIKey of 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide?
The InChIKey is XBNTZNBVXFPLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-7-4-3-5-9(10(7)13)11(15)14-6-8(2)12/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide?
2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide has a molecular weight of 244.12 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide is sourced from PubChem (CID 115766012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).