4-chloro-N-(2,2-dichloroethenyl)benzamide

C9H6Cl3NO — CID 786380

IUPAC4-chloro-N-(2,2-dichloroethenyl)benzamide
SMILESO=C(NC=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl3NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14)
InChIKeyITZFQOUCEBIXPQ-UHFFFAOYSA-N
MW250.51 g/mol
LogP3.35
Rot. Bonds2

About 4-chloro-N-(2,2-dichloroethenyl)benzamide

4-chloro-N-(2,2-dichloroethenyl)benzamide (PubChem CID 786380) has the molecular formula C9H6Cl3NO and a molecular weight of 250.51 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dichloroethenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-dichloroethenyl)benzamide
PubChem CID786380
Molecular FormulaC9H6Cl3NO
Molecular Weight250.51 g/mol
Exact Mass248.95
IUPAC Name4-chloro-N-(2,2-dichloroethenyl)benzamide
SMILESO=C(NC=C(Cl)Cl)c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl3NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14)
InChIKeyITZFQOUCEBIXPQ-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dichloroethenyl)benzamide?
The IUPAC name of 4-chloro-N-(2,2-dichloroethenyl)benzamide (CID 786380) is 4-chloro-N-(2,2-dichloroethenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,2-dichloroethenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2,2-dichloroethenyl)benzamide is O=C(NC=C(Cl)Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,2-dichloroethenyl)benzamide?
The InChIKey is ITZFQOUCEBIXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl3NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14).
What are the key properties of 4-chloro-N-(2,2-dichloroethenyl)benzamide?
4-chloro-N-(2,2-dichloroethenyl)benzamide has a molecular weight of 250.51 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dichloroethenyl)benzamide is sourced from PubChem (CID 786380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).