N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide

C12H12ClF3N2O2 — CID 108932586

IUPACN-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1ccccc1Cl)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O2/c13-9-4-2-1-3-8(9)7-10(19)17-5-6-18-11(20)12(14,15)16/h1-4H,5-7H2,(H,17,19)(H,18,20)
InChIKeyOGDGDUJDROTZJB-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.68
Rot. Bonds5

About N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 108932586) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID108932586
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC NameN-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1ccccc1Cl)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O2/c13-9-4-2-1-3-8(9)7-10(19)17-5-6-18-11(20)12(14,15)16/h1-4H,5-7H2,(H,17,19)(H,18,20)
InChIKeyOGDGDUJDROTZJB-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934902
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932591
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 2781549
2-(2-chlorophenyl)-N-pent-3-ynylacetamide
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CID 62665870
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537618
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide (CID 108932586) is N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide is O=C(Cc1ccccc1Cl)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is OGDGDUJDROTZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c13-9-4-2-1-3-8(9)7-10(19)17-5-6-18-11(20)12(14,15)16/h1-4H,5-7H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 308.69 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108932586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).