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

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

N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 87915748) has the molecular formula C31H28Cl2F4N2O4 and a molecular weight of 639.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound Name	N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID	87915748
Molecular Formula	C31H28Cl2F4N2O4
Molecular Weight	639.47 g/mol
Exact Mass	638.14
IUPAC Name	N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILES	O=C(C1=C(c2ccc(OCCOc3c(Cl)cc(F)cc3Cl)cc2)CCNC1)N(Cc1cccc(OC(F)(F)F)c1)C1CC1
InChI	InChI=1S/C31H28Cl2F4N2O4/c32-27-15-21(34)16-28(33)29(27)42-13-12-41-23-8-4-20(5-9-23)25-10-11-38-17-26(25)30(40)39(22-6-7-22)18-19-2-1-3-24(14-19)43-31(35,36)37/h1-5,8-9,14-16,22,38H,6-7,10-13,17-18H2
InChIKey	GHNVYNWDJXRPAN-UHFFFAOYSA-N
XLogP	7.43
TPSA	60.03 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	11
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.47
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?

The IUPAC name of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 87915748) is N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is O=C(C1=C(c2ccc(OCCOc3c(Cl)cc(F)cc3Cl)cc2)CCNC1)N(Cc1cccc(OC(F)(F)F)c1)C1CC1.

What is the InChIKey of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?

The InChIKey is GHNVYNWDJXRPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2F4N2O4/c32-27-15-21(34)16-28(33)29(27)42-13-12-41-23-8-4-20(5-9-23)25-10-11-38-17-26(25)30(40)39(22-6-7-22)18-19-2-1-3-24(14-19)43-31(35,36)37/h1-5,8-9,14-16,22,38H,6-7,10-13,17-18H2.

What are the key properties of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide?

N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 639.47 g/mol, XLogP of 7.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 87915748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).