4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide

C30H32Cl2N2O2 — CID 10006990

IUPAC4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCN(CCc1ccccc1Cl)C(=O)C1=C(c2ccc(CCCOc3ccccc3Cl)cc2)CCNC1
InChIInChI=1S/C30H32Cl2N2O2/c1-34(19-17-24-8-2-3-9-27(24)31)30(35)26-21-33-18-16-25(26)23-14-12-22(13-15-23)7-6-20-36-29-11-5-4-10-28(29)32/h2-5,8-15,33H,6-7,16-21H2,1H3
InChIKeyANBXUCYGLLJTDE-UHFFFAOYSA-N
MW523.50 g/mol
LogP6.45
Rot. Bonds10

About 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide

4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 10006990) has the molecular formula C30H32Cl2N2O2 and a molecular weight of 523.50 g/mol. Its IUPAC name is 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID10006990
Molecular FormulaC30H32Cl2N2O2
Molecular Weight523.50 g/mol
Exact Mass522.18
IUPAC Name4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESCN(CCc1ccccc1Cl)C(=O)C1=C(c2ccc(CCCOc3ccccc3Cl)cc2)CCNC1
InChIInChI=1S/C30H32Cl2N2O2/c1-34(19-17-24-8-2-3-9-27(24)31)30(35)26-21-33-18-16-25(26)23-14-12-22(13-15-23)7-6-20-36-29-11-5-4-10-28(29)32/h2-5,8-15,33H,6-7,16-21H2,1H3
InChIKeyANBXUCYGLLJTDE-UHFFFAOYSA-N
XLogP6.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.50
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-N-cyclopropyl-4-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 10437970
(1R,5S)-7-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-3-(2-cyanoacetyl)-N-methyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 91183117
N-[(2-chlorophenyl)methyl]cyclopropanamine;4-[4-[3-(2,5-difluorophenoxy)propyl]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 172843733
N-cyclopropyl-4-[4-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dichlorophenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 10393895
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
(1R,5S)-3-acetyl-7-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 142670351
N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 131889535
N-cyclopropyl-N-[(2-methylphenyl)methyl]-4-[4-[3-(2,3,6-trifluorophenoxy)propyl]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide;2,2,2-trifluoroacetic acid
CID 87915735
(1R,5S)-3-acetyl-7-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]-N-methyl-N-(2-phenylethyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide
CID 91225496
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103160
N-[3-(2-chlorophenyl)propyl]-4-[4-[2-(2,6-dichloro-4-fluorophenoxy)ethoxy]phenyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 152770793
1-[2-(2-chlorophenoxy)ethyl]-3-[2-(4-chlorophenyl)ethyl]-1-methylurea
CID 27532112

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide?
The IUPAC name of 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 10006990) is 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide?
The canonical SMILES for 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide is CN(CCc1ccccc1Cl)C(=O)C1=C(c2ccc(CCCOc3ccccc3Cl)cc2)CCNC1.
What is the InChIKey of 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide?
The InChIKey is ANBXUCYGLLJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O2/c1-34(19-17-24-8-2-3-9-27(24)31)30(35)26-21-33-18-16-25(26)23-14-12-22(13-15-23)7-6-20-36-29-11-5-4-10-28(29)32/h2-5,8-15,33H,6-7,16-21H2,1H3.
What are the key properties of 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide?
4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 523.50 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-chlorophenoxy)propyl]phenyl]-N-[2-(2-chlorophenyl)ethyl]-N-methyl-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 10006990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).