methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate

C19H14ClF3N4O3 — CID 136964931

IUPACmethyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C19H14ClF3N4O3/c1-30-18(29)24-9-10-2-7-14(20)13(8-10)16-25-15(26-17(28)27-16)11-3-5-12(6-4-11)19(21,22)23/h2-8H,9H2,1H3,(H,24,29)(H,25,26,27,28)
InChIKeyOADQOTDNXXPAMG-UHFFFAOYSA-N
MW438.79 g/mol
LogP4.03
Rot. Bonds4

About methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate

methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate (PubChem CID 136964931) has the molecular formula C19H14ClF3N4O3 and a molecular weight of 438.79 g/mol. Its IUPAC name is methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate
PubChem CID136964931
Molecular FormulaC19H14ClF3N4O3
Molecular Weight438.79 g/mol
Exact Mass438.07
IUPAC Namemethyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C19H14ClF3N4O3/c1-30-18(29)24-9-10-2-7-14(20)13(8-10)16-25-15(26-17(28)27-16)11-3-5-12(6-4-11)19(21,22)23/h2-8H,9H2,1H3,(H,24,29)(H,25,26,27,28)
InChIKeyOADQOTDNXXPAMG-UHFFFAOYSA-N
XLogP4.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate (CID 136964931) is methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate is COC(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1.
What is the InChIKey of methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate?
The InChIKey is OADQOTDNXXPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O3/c1-30-18(29)24-9-10-2-7-14(20)13(8-10)16-25-15(26-17(28)27-16)11-3-5-12(6-4-11)19(21,22)23/h2-8H,9H2,1H3,(H,24,29)(H,25,26,27,28).
What are the key properties of methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate?
methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate has a molecular weight of 438.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-chloro-3-[6-oxo-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 136964931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).