3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide

C20H17Cl2NO2 — CID 146581009

IUPAC3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide
SMILESCOc1cc(Cc2cc3c(Cl)cccc3cc2Cl)c(C)c(C(N)=O)c1
InChIInChI=1S/C20H17Cl2NO2/c1-11-13(7-15(25-2)10-16(11)20(23)24)6-14-8-17-12(9-19(14)22)4-3-5-18(17)21/h3-5,7-10H,6H2,1-2H3,(H2,23,24)
InChIKeyBDBPZTSNGOBYBM-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.15
Rot. Bonds4

About 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide

3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide (PubChem CID 146581009) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide
PubChem CID146581009
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide
SMILESCOc1cc(Cc2cc3c(Cl)cccc3cc2Cl)c(C)c(C(N)=O)c1
InChIInChI=1S/C20H17Cl2NO2/c1-11-13(7-15(25-2)10-16(11)20(23)24)6-14-8-17-12(9-19(14)22)4-3-5-18(17)21/h3-5,7-10H,6H2,1-2H3,(H2,23,24)
InChIKeyBDBPZTSNGOBYBM-UHFFFAOYSA-N
XLogP5.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide?
The IUPAC name of 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide (CID 146581009) is 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide.
What is the SMILES notation for 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide?
The canonical SMILES for 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide is COc1cc(Cc2cc3c(Cl)cccc3cc2Cl)c(C)c(C(N)=O)c1.
What is the InChIKey of 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide?
The InChIKey is BDBPZTSNGOBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-11-13(7-15(25-2)10-16(11)20(23)24)6-14-8-17-12(9-19(14)22)4-3-5-18(17)21/h3-5,7-10H,6H2,1-2H3,(H2,23,24).
What are the key properties of 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide?
3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide has a molecular weight of 374.27 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,8-dichloronaphthalen-2-yl)methyl]-5-methoxy-2-methylbenzamide is sourced from PubChem (CID 146581009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).