4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide

C24H25ClN2O3 — CID 24682481

IUPAC4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc2cc(CN(C)C(=O)CCCNC(=O)c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C24H25ClN2O3/c1-27(16-17-5-6-20-15-22(30-2)12-9-19(20)14-17)23(28)4-3-13-26-24(29)18-7-10-21(25)11-8-18/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,29)
InChIKeyGEFLITVFNWGTJE-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.67
Rot. Bonds8

About 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide

4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 24682481) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID24682481
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCOc1ccc2cc(CN(C)C(=O)CCCNC(=O)c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C24H25ClN2O3/c1-27(16-17-5-6-20-15-22(30-2)12-9-19(20)14-17)23(28)4-3-13-26-24(29)18-7-10-21(25)11-8-18/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,29)
InChIKeyGEFLITVFNWGTJE-UHFFFAOYSA-N
XLogP4.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.67
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

4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
4-chloro-N-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 18198372
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-oxopropyl]-4-chlorobenzamide
CID 17397418
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42006510
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
CID 134058645
4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
CID 18283094

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide (CID 24682481) is 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide is COc1ccc2cc(CN(C)C(=O)CCCNC(=O)c3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is GEFLITVFNWGTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-27(16-17-5-6-20-15-22(30-2)12-9-19(20)14-17)23(28)4-3-13-26-24(29)18-7-10-21(25)11-8-18/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,29).
What are the key properties of 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 424.93 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 24682481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).