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

C12H16ClNO2 — CID 62225305

IUPAC2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCNC(=O)C(Cl)c1cccc(OC(C)C)c1
InChIInChI=1S/C12H16ClNO2/c1-8(2)16-10-6-4-5-9(7-10)11(13)12(15)14-3/h4-8,11H,1-3H3,(H,14,15)
InChIKeyHVPKUYRDIXOZFN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.50
Rot. Bonds4

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

2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 62225305) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID62225305
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCNC(=O)C(Cl)c1cccc(OC(C)C)c1
InChIInChI=1S/C12H16ClNO2/c1-8(2)16-10-6-4-5-9(7-10)11(13)12(15)14-3/h4-8,11H,1-3H3,(H,14,15)
InChIKeyHVPKUYRDIXOZFN-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.50
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-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
2-chloro-2-(3-propan-2-yloxyphenyl)acetamide
CID 62226246
2-chloro-N-methyl-2-(3-methylphenyl)acetamide
CID 62224564
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
1,2-dimethyl-3-[1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 51131497
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
1,2-dimethyl-3-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]guanidine
CID 52516530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide (CID 62225305) is 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide is CNC(=O)C(Cl)c1cccc(OC(C)C)c1.
What is the InChIKey of 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is HVPKUYRDIXOZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)16-10-6-4-5-9(7-10)11(13)12(15)14-3/h4-8,11H,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide?
2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 62225305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).