N-(2,2-dichloroethenyl)-4-methylbenzamide

C10H9Cl2NO — CID 651612

IUPACN-(2,2-dichloroethenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC=C(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl2NO/c1-7-2-4-8(5-3-7)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14)
InChIKeyHPFANBPWWVMZQZ-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.00
Rot. Bonds2

About N-(2,2-dichloroethenyl)-4-methylbenzamide

N-(2,2-dichloroethenyl)-4-methylbenzamide (PubChem CID 651612) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is N-(2,2-dichloroethenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dichloroethenyl)-4-methylbenzamide
PubChem CID651612
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC NameN-(2,2-dichloroethenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC=C(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl2NO/c1-7-2-4-8(5-3-7)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14)
InChIKeyHPFANBPWWVMZQZ-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloroethenyl)-4-methylbenzamide?
The IUPAC name of N-(2,2-dichloroethenyl)-4-methylbenzamide (CID 651612) is N-(2,2-dichloroethenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2,2-dichloroethenyl)-4-methylbenzamide?
The canonical SMILES for N-(2,2-dichloroethenyl)-4-methylbenzamide is Cc1ccc(C(=O)NC=C(Cl)Cl)cc1.
What is the InChIKey of N-(2,2-dichloroethenyl)-4-methylbenzamide?
The InChIKey is HPFANBPWWVMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-7-2-4-8(5-3-7)10(14)13-6-9(11)12/h2-6H,1H3,(H,13,14).
What are the key properties of N-(2,2-dichloroethenyl)-4-methylbenzamide?
N-(2,2-dichloroethenyl)-4-methylbenzamide has a molecular weight of 230.09 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloroethenyl)-4-methylbenzamide is sourced from PubChem (CID 651612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).