2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide

C12H14F3NO2 — CID 118436972

IUPAC2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide
SMILESCCCN(C(=O)COc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-8-16(12(13,14)15)11(17)9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyUGKLKJDUKLJHAK-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.82
Rot. Bonds5

About 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide

2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide (PubChem CID 118436972) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide
PubChem CID118436972
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide
SMILESCCCN(C(=O)COc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c1-2-8-16(12(13,14)15)11(17)9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyUGKLKJDUKLJHAK-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-phenoxyacetamide
CID 4074500
2-[3-[2-(dipropylamino)-2-oxoethoxy]phenoxy]-N,N-dipropylacetamide
CID 71326234
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
chloromethane;2-phenoxyacetic acid
CID 157255542
2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
3-[2-hydroxyethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 82325255
N-benzyl-2-[(2-phenoxyacetyl)amino]-N-propylacetamide
CID 30586947

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide?
The IUPAC name of 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide (CID 118436972) is 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide.
What is the SMILES notation for 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide?
The canonical SMILES for 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide is CCCN(C(=O)COc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide?
The InChIKey is UGKLKJDUKLJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-8-16(12(13,14)15)11(17)9-18-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide?
2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-propyl-N-(trifluoromethyl)acetamide is sourced from PubChem (CID 118436972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).