6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide

C22H22BrNO4 — CID 58064855

IUPAC6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide
SMILESCOc1cc2cccc(N(C)C(=O)c3c(Br)ccc(C)c3OC)c2cc1OC
InChIInChI=1S/C22H22BrNO4/c1-13-9-10-16(23)20(21(13)28-5)22(25)24(2)17-8-6-7-14-11-18(26-3)19(27-4)12-15(14)17/h6-12H,1-5H3
InChIKeyBQBKYEVATBEIJV-UHFFFAOYSA-N
MW444.33 g/mol
LogP5.21
Rot. Bonds5

About 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide

6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide (PubChem CID 58064855) has the molecular formula C22H22BrNO4 and a molecular weight of 444.33 g/mol. Its IUPAC name is 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide.

Molecular Properties

Compound Name6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide
PubChem CID58064855
Molecular FormulaC22H22BrNO4
Molecular Weight444.33 g/mol
Exact Mass443.07
IUPAC Name6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide
SMILESCOc1cc2cccc(N(C)C(=O)c3c(Br)ccc(C)c3OC)c2cc1OC
InChIInChI=1S/C22H22BrNO4/c1-13-9-10-16(23)20(21(13)28-5)22(25)24(2)17-8-6-7-14-11-18(26-3)19(27-4)12-15(14)17/h6-12H,1-5H3
InChIKeyBQBKYEVATBEIJV-UHFFFAOYSA-N
XLogP5.21
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.33
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[5-[4-(dimethylamino)phenyl]-6,7-dimethoxynaphthalen-1-yl]-2,3-bis(hydroxymethyl)-N-methylbenzamide
CID 58064992
[2-[benzo[f][1,3]benzodioxol-5-yl(methyl)carbamoyl]-3,4-dimethoxyphenyl] trifluoromethanesulfonate
CID 15377940
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
2-bromo-N-(2-methoxyphenyl)-N,3-dimethylbenzamide
CID 103853420
1-(6,7-dimethoxynaphthalen-1-yl)ethanone
CID 54066039
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
2-bromo-N-(2-methoxyphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027611
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide?
The IUPAC name of 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide (CID 58064855) is 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide.
What is the SMILES notation for 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide?
The canonical SMILES for 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide is COc1cc2cccc(N(C)C(=O)c3c(Br)ccc(C)c3OC)c2cc1OC.
What is the InChIKey of 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide?
The InChIKey is BQBKYEVATBEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrNO4/c1-13-9-10-16(23)20(21(13)28-5)22(25)24(2)17-8-6-7-14-11-18(26-3)19(27-4)12-15(14)17/h6-12H,1-5H3.
What are the key properties of 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide?
6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide has a molecular weight of 444.33 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6,7-dimethoxynaphthalen-1-yl)-2-methoxy-N,3-dimethylbenzamide is sourced from PubChem (CID 58064855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).