N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

C15H18ClF3N2O2 — CID 56873831

IUPACN-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESO=C(CCN1CCOC(C(F)(F)F)C1)NCc1ccccc1Cl
InChIInChI=1S/C15H18ClF3N2O2/c16-12-4-2-1-3-11(12)9-20-14(22)5-6-21-7-8-23-13(10-21)15(17,18)19/h1-4,13H,5-10H2,(H,20,22)
InChIKeyVVPUOFKNMXZLBT-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.61
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (PubChem CID 56873831) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
PubChem CID56873831
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide
SMILESO=C(CCN1CCOC(C(F)(F)F)C1)NCc1ccccc1Cl
InChIInChI=1S/C15H18ClF3N2O2/c16-12-4-2-1-3-11(12)9-20-14(22)5-6-21-7-8-23-13(10-21)15(17,18)19/h1-4,13H,5-10H2,(H,20,22)
InChIKeyVVPUOFKNMXZLBT-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]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

(2E)-3-(6-chloro-2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 6087869
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 6465678
N-(4-chlorobenzyl)-N'-[3-(4-morpholinyl)propyl]ethanediamide
CID 2172999
N-[(2-chlorophenyl)methyl]-2-morpholin-4-ylacetamide
CID 2697528
N-benzyl-3-(4-morpholinyl)propanamide hydrochloride
CID 2964826
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
N-(3-chlorobenzyl)-1-[3-(4-morpholinyl)propyl]-6-oxo-3-piperidinecarboxamide
CID 24790428
N-((4-(4-Fluorobenzyl)morpholin-2-yl)methyl)acetamide
CID 10683176
6-(2-chlorophenyl)-4-morpholino-1H-pyridin-2-one
CID 162533413
N'-[(2-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 1919454
N-[(2-chlorophenyl)methyl]-2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]acetamide
CID 4878610
N1-(2-chlorobenzyl)-N2-(2-(4-fluorophenyl)-2-morpholinoethyl)oxalamide
CID 18589283

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide (CID 56873831) is N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is O=C(CCN1CCOC(C(F)(F)F)C1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
The InChIKey is VVPUOFKNMXZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c16-12-4-2-1-3-11(12)9-20-14(22)5-6-21-7-8-23-13(10-21)15(17,18)19/h1-4,13H,5-10H2,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide has a molecular weight of 350.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[2-(trifluoromethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 56873831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).