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

C22H24ClNO2 — CID 22452671

IUPACN-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCN(CC(CC=O)c1ccc(Cl)cc1)C(=O)c1cccc2c1CCCC2
InChIInChI=1S/C22H24ClNO2/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/h4,6,8-12,14,18H,2-3,5,7,13,15H2,1H3
InChIKeyHZZHXWPFWFXSRY-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.66
Rot. Bonds6

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

N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 22452671) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID22452671
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC NameN-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCN(CC(CC=O)c1ccc(Cl)cc1)C(=O)c1cccc2c1CCCC2
InChIInChI=1S/C22H24ClNO2/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/h4,6,8-12,14,18H,2-3,5,7,13,15H2,1H3
InChIKeyHZZHXWPFWFXSRY-UHFFFAOYSA-N
XLogP4.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 22452671) is N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide is CN(CC(CC=O)c1ccc(Cl)cc1)C(=O)c1cccc2c1CCCC2.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is HZZHXWPFWFXSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/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/h4,6,8-12,14,18H,2-3,5,7,13,15H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 369.89 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 22452671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).