2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide

C12H13ClF3NO2 — CID 155581406

IUPAC2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide
SMILESCc1ccc(OCCC(F)(F)F)c(NC(=O)CCl)c1
InChIInChI=1S/C12H13ClF3NO2/c1-8-2-3-10(19-5-4-12(14,15)16)9(6-8)17-11(18)7-13/h2-3,6H,4-5,7H2,1H3,(H,17,18)
InChIKeyMVPOGDVONLIWLP-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.50
Rot. Bonds5

About 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide

2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide (PubChem CID 155581406) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide
PubChem CID155581406
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide
SMILESCc1ccc(OCCC(F)(F)F)c(NC(=O)CCl)c1
InChIInChI=1S/C12H13ClF3NO2/c1-8-2-3-10(19-5-4-12(14,15)16)9(6-8)17-11(18)7-13/h2-3,6H,4-5,7H2,1H3,(H,17,18)
InChIKeyMVPOGDVONLIWLP-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.50
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-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 166187863
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-chloro-N-[2-[(2-chloro-2,2-difluoroethoxy)methyl]-5-methylphenyl]acetamide
CID 155580465
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
N-(2,5-diethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 31526543
4,4,4-trifluoro-3-hydroxy-N-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butanamide
CID 823256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide (CID 155581406) is 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide is Cc1ccc(OCCC(F)(F)F)c(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide?
The InChIKey is MVPOGDVONLIWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO2/c1-8-2-3-10(19-5-4-12(14,15)16)9(6-8)17-11(18)7-13/h2-3,6H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide?
2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide has a molecular weight of 295.69 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide is sourced from PubChem (CID 155581406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).