2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide

C22H20Cl2N2O3 — CID 17499196

IUPAC2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Cl)cc3Cl)ccc2c1
InChIInChI=1S/C22H20Cl2N2O3/c1-26(13-14-3-4-16-10-18(29-2)7-5-15(16)9-14)21(27)12-25-22(28)19-8-6-17(23)11-20(19)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyVDJPNVSKQZHVMU-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.54
Rot. Bonds6

About 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 17499196) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID17499196
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Cl)cc3Cl)ccc2c1
InChIInChI=1S/C22H20Cl2N2O3/c1-26(13-14-3-4-16-10-18(29-2)7-5-15(16)9-14)21(27)12-25-22(28)19-8-6-17(23)11-20(19)24/h3-11H,12-13H2,1-2H3,(H,25,28)
InChIKeyVDJPNVSKQZHVMU-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
2,4-dichloro-N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31327338
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489
5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 17480140
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
2-(5-chloro-2-methoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8529237
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 42006510
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8598681
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide (CID 17499196) is 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide is COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(Cl)cc3Cl)ccc2c1.
What is the InChIKey of 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is VDJPNVSKQZHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-26(13-14-3-4-16-10-18(29-2)7-5-15(16)9-14)21(27)12-25-22(28)19-8-6-17(23)11-20(19)24/h3-11H,12-13H2,1-2H3,(H,25,28).
What are the key properties of 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 431.32 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17499196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).