N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide

C32H31Cl2F3N2O4 — CID 90914741

IUPACN-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)NC(c4cccc(OC(F)(F)F)c4)C4CC4)CNCC3)cc2)c(Cl)c1
InChIInChI=1S/C32H31Cl2F3N2O4/c1-19-15-27(33)30(28(34)16-19)42-14-13-41-23-9-7-20(8-10-23)25-11-12-38-18-26(25)31(40)39-29(21-5-6-21)22-3-2-4-24(17-22)43-32(35,36)37/h2-4,7-10,15-17,21,29,38H,5-6,11-14,18H2,1H3,(H,39,40)
InChIKeyCSMUUQJXZFRQRJ-UHFFFAOYSA-N
MW635.51 g/mol
LogP7.67
Rot. Bonds11

About N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide

N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 90914741) has the molecular formula C32H31Cl2F3N2O4 and a molecular weight of 635.51 g/mol. Its IUPAC name is N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID90914741
Molecular FormulaC32H31Cl2F3N2O4
Molecular Weight635.51 g/mol
Exact Mass634.16
IUPAC NameN-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)NC(c4cccc(OC(F)(F)F)c4)C4CC4)CNCC3)cc2)c(Cl)c1
InChIInChI=1S/C32H31Cl2F3N2O4/c1-19-15-27(33)30(28(34)16-19)42-14-13-41-23-9-7-20(8-10-23)25-11-12-38-18-26(25)31(40)39-29(21-5-6-21)22-3-2-4-24(17-22)43-32(35,36)37/h2-4,7-10,15-17,21,29,38H,5-6,11-14,18H2,1H3,(H,39,40)
InChIKeyCSMUUQJXZFRQRJ-UHFFFAOYSA-N
XLogP7.67
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.51
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide 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-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
The IUPAC name of N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 90914741) is N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
The canonical SMILES for N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is Cc1cc(Cl)c(OCCOc2ccc(C3=C(C(=O)NC(c4cccc(OC(F)(F)F)c4)C4CC4)CNCC3)cc2)c(Cl)c1.
What is the InChIKey of N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
The InChIKey is CSMUUQJXZFRQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31Cl2F3N2O4/c1-19-15-27(33)30(28(34)16-19)42-14-13-41-23-9-7-20(8-10-23)25-11-12-38-18-26(25)31(40)39-29(21-5-6-21)22-3-2-4-24(17-22)43-32(35,36)37/h2-4,7-10,15-17,21,29,38H,5-6,11-14,18H2,1H3,(H,39,40).
What are the key properties of N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?
N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 635.51 g/mol, XLogP of 7.67, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[3-(trifluoromethoxy)phenyl]methyl]-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 90914741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).