N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide

C12H14ClNO2 — CID 115636840

IUPACN-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C12H14ClNO2/c1-9-3-5-11(6-4-9)16-8-12(15)14-7-10(2)13/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyMBBARHDOGWNWMP-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.24
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide

N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide (PubChem CID 115636840) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
PubChem CID115636840
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
SMILESC=C(Cl)CNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C12H14ClNO2/c1-9-3-5-11(6-4-9)16-8-12(15)14-7-10(2)13/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKeyMBBARHDOGWNWMP-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
N-tert-butyl-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]acetamide
CID 24633483
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
(3-methylphenyl) 2-[[2-(4-methylphenoxy)acetyl]amino]acetate
CID 110670431
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide (CID 115636840) is N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide is C=C(Cl)CNC(=O)COc1ccc(C)cc1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is MBBARHDOGWNWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-9-3-5-11(6-4-9)16-8-12(15)14-7-10(2)13/h3-6H,2,7-8H2,1H3,(H,14,15).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide?
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 239.70 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 115636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).