N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C22H26ClNO2 — CID 22452648

IUPACN-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCN(CC(CCO)c1ccc(Cl)cc1)C(=O)c1cccc2c1CCCC2
InChIInChI=1S/C22H26ClNO2/c1-24(15-18(13-14-25)16-9-11-19(23)12-10-16)22(26)21-8-4-6-17-5-2-3-7-20(17)21/h4,6,8-12,18,25H,2-3,5,7,13-15H2,1H3
InChIKeySZMQBJAKQOIFCM-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 22452648) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID22452648
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC NameN-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCN(CC(CCO)c1ccc(Cl)cc1)C(=O)c1cccc2c1CCCC2
InChIInChI=1S/C22H26ClNO2/c1-24(15-18(13-14-25)16-9-11-19(23)12-10-16)22(26)21-8-4-6-17-5-2-3-7-20(17)21/h4,6,8-12,18,25H,2-3,5,7,13-15H2,1H3
InChIKeySZMQBJAKQOIFCM-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 22452648) is N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide is CN(CC(CCO)c1ccc(Cl)cc1)C(=O)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is SZMQBJAKQOIFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO2/c1-24(15-18(13-14-25)16-9-11-19(23)12-10-16)22(26)21-8-4-6-17-5-2-3-7-20(17)21/h4,6,8-12,18,25H,2-3,5,7,13-15H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 22452648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).