3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide

C14H16ClF3N2O2 — CID 108934902

IUPAC3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
SMILESO=C(CCc1ccccc1Cl)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O2/c15-11-5-2-1-4-10(11)6-7-12(21)19-8-3-9-20-13(22)14(16,17)18/h1-2,4-5H,3,6-9H2,(H,19,21)(H,20,22)
InChIKeyKXNQWXUMDQMYMH-UHFFFAOYSA-N
MW336.74 g/mol
LogP2.46
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide

3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide (PubChem CID 108934902) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
PubChem CID108934902
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
SMILESO=C(CCc1ccccc1Cl)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O2/c15-11-5-2-1-4-10(11)6-7-12(21)19-8-3-9-20-13(22)14(16,17)18/h1-2,4-5H,3,6-9H2,(H,19,21)(H,20,22)
InChIKeyKXNQWXUMDQMYMH-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide 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-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
3-(2-chlorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622808
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
methyl 6-[3-(2-chlorophenyl)propanoylamino]hexanoate
CID 43404503
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823
3-(2-chlorophenyl)-N-(2-chloroprop-2-enyl)propanamide
CID 115637010
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
[3-[3-[3-(2-chlorophenyl)propanoylamino]propylcarbamoyl]phenyl] acetate
CID 108929475
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide (CID 108934902) is 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide is O=C(CCc1ccccc1Cl)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
The InChIKey is KXNQWXUMDQMYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c15-11-5-2-1-4-10(11)6-7-12(21)19-8-3-9-20-13(22)14(16,17)18/h1-2,4-5H,3,6-9H2,(H,19,21)(H,20,22).
What are the key properties of 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide?
3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide has a molecular weight of 336.74 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide is sourced from PubChem (CID 108934902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).