2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide

C12H14ClNO2 — CID 92931806

IUPAC2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CCl)c(C)c1
InChIInChI=1S/C12H14ClNO2/c1-3-6-16-10-4-5-11(9(2)7-10)14-12(15)8-13/h3-5,7H,1,6,8H2,2H3,(H,14,15)
InChIKeyZBFCAUUTPRAIRS-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide

2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide (PubChem CID 92931806) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide
PubChem CID92931806
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CCl)c(C)c1
InChIInChI=1S/C12H14ClNO2/c1-3-6-16-10-4-5-11(9(2)7-10)14-12(15)8-13/h3-5,7H,1,6,8H2,2H3,(H,14,15)
InChIKeyZBFCAUUTPRAIRS-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
2-chloro-N-(2,4-diethoxyphenyl)acetamide
CID 166409021
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
CID 79205094
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
4-(4-chloro-3-methylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19191212
N-(2,4-dichlorophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821175
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
N-(3,4-dimethylphenyl)-4-prop-2-enoxybenzamide
CID 4778952
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide (CID 92931806) is 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CCl)c(C)c1.
What is the InChIKey of 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide?
The InChIKey is ZBFCAUUTPRAIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-3-6-16-10-4-5-11(9(2)7-10)14-12(15)8-13/h3-5,7H,1,6,8H2,2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide?
2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide has a molecular weight of 239.70 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 92931806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).