2-chloro-2-(3-propan-2-yloxyphenyl)acetamide

C11H14ClNO2 — CID 62226246

IUPAC2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(C(Cl)C(N)=O)c1
InChIInChI=1S/C11H14ClNO2/c1-7(2)15-9-5-3-4-8(6-9)10(12)11(13)14/h3-7,10H,1-2H3,(H2,13,14)
InChIKeyDDFKWXZTLLRDKZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.24
Rot. Bonds4

About 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide

2-chloro-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 62226246) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID62226246
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cccc(C(Cl)C(N)=O)c1
InChIInChI=1S/C11H14ClNO2/c1-7(2)15-9-5-3-4-8(6-9)10(12)11(13)14/h3-7,10H,1-2H3,(H2,13,14)
InChIKeyDDFKWXZTLLRDKZ-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 62225305
2-chloro-2-(3-phenoxyphenyl)acetamide
CID 55047576
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
1-bromo-4-[chloro-(3-propan-2-yloxyphenyl)methyl]benzene
CID 63428597
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide (CID 62226246) is 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cccc(C(Cl)C(N)=O)c1.
What is the InChIKey of 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is DDFKWXZTLLRDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7(2)15-9-5-3-4-8(6-9)10(12)11(13)14/h3-7,10H,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide?
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 227.69 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 62226246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).