N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide

C26H22BrNO2 — CID 3480217

IUPACN-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
SMILESCOc1ccc2cc(Br)ccc2c1CNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22BrNO2/c1-30-24-15-12-20-16-21(27)13-14-22(20)23(24)17-28-26(29)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,25H,17H2,1H3,(H,28,29)
InChIKeyNVYZXWJGPYMQGA-UHFFFAOYSA-N
MW460.37 g/mol
LogP6.06
Rot. Bonds6

About N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide

N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide (PubChem CID 3480217) has the molecular formula C26H22BrNO2 and a molecular weight of 460.37 g/mol. Its IUPAC name is N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
PubChem CID3480217
Molecular FormulaC26H22BrNO2
Molecular Weight460.37 g/mol
Exact Mass459.08
IUPAC NameN-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide
SMILESCOc1ccc2cc(Br)ccc2c1CNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22BrNO2/c1-30-24-15-12-20-16-21(27)13-14-22(20)23(24)17-28-26(29)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,25H,17H2,1H3,(H,28,29)
InChIKeyNVYZXWJGPYMQGA-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.37
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(6-bromo-2-methoxynaphthalen-1-yl)methylamino]-5-oxopentanoic acid
CID 3484079
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 2234260
naphthalen-2-yl 2-(6-bromo-2-methoxynaphthalen-1-yl)acetate
CID 4864831
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-[5-[[2-(6-bromo-2-methoxynaphthalen-1-yl)acetyl]amino]naphthalen-1-yl]acetamide
CID 4729799
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
2-(6-bromo-2-methoxynaphthalen-1-yl)-N,N-diethylacetamide
CID 1034200
6-bromo-2-methoxy-1-methylnaphthalene;(6-bromo-2-methoxynaphthalen-1-yl)methanol
CID 70197174
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472
4-bromo-N-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethyl]benzamide
CID 3484465
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-chlorophenyl)acetamide
CID 4729726
2-(6-bromo-2-methoxynaphthalen-1-yl)-N-(4-iodophenyl)acetamide
CID 4729727

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide (CID 3480217) is N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide is COc1ccc2cc(Br)ccc2c1CNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide?
The InChIKey is NVYZXWJGPYMQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO2/c1-30-24-15-12-20-16-21(27)13-14-22(20)23(24)17-28-26(29)25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,25H,17H2,1H3,(H,28,29).
What are the key properties of N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide?
N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide has a molecular weight of 460.37 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-methoxynaphthalen-1-yl)methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 3480217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).