N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide

C12H12ClF3N2O2 — CID 108932591

IUPACN-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O2/c13-9-3-1-2-8(6-9)7-10(19)17-4-5-18-11(20)12(14,15)16/h1-3,6H,4-5,7H2,(H,17,19)(H,18,20)
InChIKeyIGUGTDQYCWSVRJ-UHFFFAOYSA-N
MW308.69 g/mol
LogP1.68
Rot. Bonds5

About N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 108932591) has the molecular formula C12H12ClF3N2O2 and a molecular weight of 308.69 g/mol. Its IUPAC name is N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID108932591
Molecular FormulaC12H12ClF3N2O2
Molecular Weight308.69 g/mol
Exact Mass308.05
IUPAC NameN-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O2/c13-9-3-1-2-8(6-9)7-10(19)17-4-5-18-11(20)12(14,15)16/h1-3,6H,4-5,7H2,(H,17,19)(H,18,20)
InChIKeyIGUGTDQYCWSVRJ-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'}

Analyze N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721086
N-[2-(3-chlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732092
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
tert-butyl N-[(3-chlorophenyl)methyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 139930735
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide (CID 108932591) is N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide is O=C(Cc1cccc(Cl)c1)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is IGUGTDQYCWSVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O2/c13-9-3-1-2-8(6-9)7-10(19)17-4-5-18-11(20)12(14,15)16/h1-3,6H,4-5,7H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[[2-(3-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-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108932591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).