3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide

C20H17Cl2NO2 — CID 3071643

IUPAC3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide
SMILESCOc1ccc2cccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C20H17Cl2NO2/c1-25-18-6-5-13-3-2-4-14(19(13)12-18)7-8-23-20(24)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24)
InChIKeyBCBQQJGIICZPKJ-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.13
Rot. Bonds5

About 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide

3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide (PubChem CID 3071643) has the molecular formula C20H17Cl2NO2 and a molecular weight of 374.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide
PubChem CID3071643
Molecular FormulaC20H17Cl2NO2
Molecular Weight374.27 g/mol
Exact Mass373.06
IUPAC Name3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide
SMILESCOc1ccc2cccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)c2c1
InChIInChI=1S/C20H17Cl2NO2/c1-25-18-6-5-13-3-2-4-14(19(13)12-18)7-8-23-20(24)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24)
InChIKeyBCBQQJGIICZPKJ-UHFFFAOYSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide (CID 3071643) is 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide is COc1ccc2cccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)c2c1.
What is the InChIKey of 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide?
The InChIKey is BCBQQJGIICZPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2/c1-25-18-6-5-13-3-2-4-14(19(13)12-18)7-8-23-20(24)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24).
What are the key properties of 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide?
3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide has a molecular weight of 374.27 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(7-methoxynaphthalen-1-yl)ethyl]benzamide is sourced from PubChem (CID 3071643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).