N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

C25H23ClF4N4O2 — CID 118380427

IUPACN-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2ccc(F)c(C3CC3)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C25H23ClF4N4O2/c1-24(2,25(28,29)30)22(35)31-12-13-4-8-18(26)17(10-13)21-32-20(33-23(34-21)36-3)15-7-9-19(27)16(11-15)14-5-6-14/h4,7-11,14H,5-6,12H2,1-3H3,(H,31,35)
InChIKeyMTZCJPYNOWRAGP-UHFFFAOYSA-N
MW522.93 g/mol
LogP6.09
Rot. Bonds7

About N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide

N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 118380427) has the molecular formula C25H23ClF4N4O2 and a molecular weight of 522.93 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID118380427
Molecular FormulaC25H23ClF4N4O2
Molecular Weight522.93 g/mol
Exact Mass522.14
IUPAC NameN-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCOc1nc(-c2ccc(F)c(C3CC3)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C25H23ClF4N4O2/c1-24(2,25(28,29)30)22(35)31-12-13-4-8-18(26)17(10-13)21-32-20(33-23(34-21)36-3)15-7-9-19(27)16(11-15)14-5-6-14/h4,7-11,14H,5-6,12H2,1-3H3,(H,31,35)
InChIKeyMTZCJPYNOWRAGP-UHFFFAOYSA-N
XLogP6.09
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.93
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide 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 N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 118380427) is N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is COc1nc(-c2ccc(F)c(C3CC3)c2)nc(-c2cc(CNC(=O)C(C)(C)C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is MTZCJPYNOWRAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF4N4O2/c1-24(2,25(28,29)30)22(35)31-12-13-4-8-18(26)17(10-13)21-32-20(33-23(34-21)36-3)15-7-9-19(27)16(11-15)14-5-6-14/h4,7-11,14H,5-6,12H2,1-3H3,(H,31,35).
What are the key properties of N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 522.93 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-(3-cyclopropyl-4-fluorophenyl)-6-methoxy-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 118380427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).