1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione

C19H18ClF3N4O3 — CID 76821293

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
SMILESC1=CC(=CC(=C1)NC2NC(=O)N(C(=O)N2CC3=CC=C(C=C3)Cl)CCO)C(F)(F)F
InChIInChI=1S/C19H18ClF3N4O3/c20-14-6-4-12(5-7-14)11-27-16(25-17(29)26(8-9-28)18(27)30)24-15-3-1-2-13(10-15)19(21,22)23/h1-7,10,16,24,28H,8-9,11H2,(H,25,29)
InChIKeyALELRSFTOWKEFT-UHFFFAOYSA-N
MW442.80 g/mol
LogP3.40
Rot. Bonds6

About 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione

1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione (PubChem CID 76821293) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
PubChem CID76821293
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.80 g/mol
Exact Mass442.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
SMILESC1=CC(=CC(=C1)NC2NC(=O)N(C(=O)N2CC3=CC=C(C=C3)Cl)CCO)C(F)(F)F
InChIInChI=1S/C19H18ClF3N4O3/c20-14-6-4-12(5-7-14)11-27-16(25-17(29)26(8-9-28)18(27)30)24-15-3-1-2-13(10-15)19(21,22)23/h1-7,10,16,24,28H,8-9,11H2,(H,25,29)
InChIKeyALELRSFTOWKEFT-UHFFFAOYSA-N
XLogP3.40
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity616

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.80
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione 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

1-[(4-Chlorophenyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
CID 58578560
1-[1-[(2-Chlorophenyl)methyl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696265
1-[1-[(3-Chlorophenyl)methyl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696352
1-[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 126696376
3-(3-Chlorophenyl)-1-(2-fluorobenzyl)-1-[3-(morpholin-4-yl)propyl]urea
CID 664634
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 3236653
1-[(4-Chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 3724708
1-[(4-Chlorophenyl)methyl]-1-(3,3,3-trifluoro-2-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3802991
N-(4-chlorobenzyl)-N'-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 3806234
4-[5-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]pentyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 44529602
1-(4-Chlorophenyl)-3-(4-fluorobenzyl)-1-(1-(2-hydroxyethyl)piperidin-4-yl)urea
CID 46883819
1-(3-Chlorophenyl)-3-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]urea
CID 2295449

Frequently Asked Questions

What is the IUPAC name of 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione (CID 76821293) is 1-[(4-chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione is C1=CC(=CC(=C1)NC2NC(=O)N(C(=O)N2CC3=CC=C(C=C3)Cl)CCO)C(F)(F)F.
What is the InChIKey of 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
The InChIKey is ALELRSFTOWKEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c20-14-6-4-12(5-7-14)11-27-16(25-17(29)26(8-9-28)18(27)30)24-15-3-1-2-13(10-15)19(21,22)23/h1-7,10,16,24,28H,8-9,11H2,(H,25,29).
What are the key properties of 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione has a molecular weight of 442.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-Chlorophenyl)methyl]-3-(2-hydroxyethyl)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 76821293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).