2-chloro-2-(2-methylphenyl)-N-propylacetamide

C12H16ClNO — CID 62224578

IUPAC2-chloro-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1ccccc1C
InChIInChI=1S/C12H16ClNO/c1-3-8-14-12(15)11(13)10-7-5-4-6-9(10)2/h4-7,11H,3,8H2,1-2H3,(H,14,15)
InChIKeyFFADZWAATTZEPS-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.80
Rot. Bonds4

About 2-chloro-2-(2-methylphenyl)-N-propylacetamide

2-chloro-2-(2-methylphenyl)-N-propylacetamide (PubChem CID 62224578) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-2-(2-methylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-methylphenyl)-N-propylacetamide
PubChem CID62224578
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCNC(=O)C(Cl)c1ccccc1C
InChIInChI=1S/C12H16ClNO/c1-3-8-14-12(15)11(13)10-7-5-4-6-9(10)2/h4-7,11H,3,8H2,1-2H3,(H,14,15)
InChIKeyFFADZWAATTZEPS-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
2-chloro-2-naphthalen-1-yl-N-propylacetamide
CID 62224763
2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 62224401
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
2-chloro-2-(2,6-difluorophenyl)-N-propylacetamide
CID 62226069
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide
CID 62224768
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-chloro-2-(3-ethoxyphenyl)-N-propylacetamide
CID 62224047

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-methylphenyl)-N-propylacetamide?
The IUPAC name of 2-chloro-2-(2-methylphenyl)-N-propylacetamide (CID 62224578) is 2-chloro-2-(2-methylphenyl)-N-propylacetamide.
What is the SMILES notation for 2-chloro-2-(2-methylphenyl)-N-propylacetamide?
The canonical SMILES for 2-chloro-2-(2-methylphenyl)-N-propylacetamide is CCCNC(=O)C(Cl)c1ccccc1C.
What is the InChIKey of 2-chloro-2-(2-methylphenyl)-N-propylacetamide?
The InChIKey is FFADZWAATTZEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-8-14-12(15)11(13)10-7-5-4-6-9(10)2/h4-7,11H,3,8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-2-(2-methylphenyl)-N-propylacetamide?
2-chloro-2-(2-methylphenyl)-N-propylacetamide has a molecular weight of 225.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-methylphenyl)-N-propylacetamide is sourced from PubChem (CID 62224578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).