N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide

C11H12ClNO — CID 130011916

IUPACN-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide
SMILESC=C(C)c1cccc(Cl)c1NC(C)=O
InChIInChI=1S/C11H12ClNO/c1-7(2)9-5-4-6-10(12)11(9)13-8(3)14/h4-6H,1H2,2-3H3,(H,13,14)
InChIKeyOCOZUHYOWMHGOC-UHFFFAOYSA-N
MW209.68 g/mol
LogP3.33
Rot. Bonds2

About N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide

N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide (PubChem CID 130011916) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide
PubChem CID130011916
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC NameN-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide
SMILESC=C(C)c1cccc(Cl)c1NC(C)=O
InChIInChI=1S/C11H12ClNO/c1-7(2)9-5-4-6-10(12)11(9)13-8(3)14/h4-6H,1H2,2-3H3,(H,13,14)
InChIKeyOCOZUHYOWMHGOC-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide?
The IUPAC name of N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide (CID 130011916) is N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide.
What is the SMILES notation for N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide?
The canonical SMILES for N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide is C=C(C)c1cccc(Cl)c1NC(C)=O.
What is the InChIKey of N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide?
The InChIKey is OCOZUHYOWMHGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(2)9-5-4-6-10(12)11(9)13-8(3)14/h4-6H,1H2,2-3H3,(H,13,14).
What are the key properties of N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide?
N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide has a molecular weight of 209.68 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide is sourced from PubChem (CID 130011916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).