4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide

C20H17BrN2O3 — CID 24605889

IUPAC4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C20H17BrN2O3/c1-22-20(25)14-6-9-15(10-7-14)23-18(24)12-26-17-11-8-13-4-2-3-5-16(13)19(17)21/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeySIQGEEDIADCWFV-UHFFFAOYSA-N
MW413.27 g/mol
LogP3.98
Rot. Bonds5

About 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide

4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide (PubChem CID 24605889) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
PubChem CID24605889
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C20H17BrN2O3/c1-22-20(25)14-6-9-15(10-7-14)23-18(24)12-26-17-11-8-13-4-2-3-5-16(13)19(17)21/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeySIQGEEDIADCWFV-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
CID 9230997
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4508209
3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
CID 26160442
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide (CID 24605889) is 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide?
The InChIKey is SIQGEEDIADCWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-22-20(25)14-6-9-15(10-7-14)23-18(24)12-26-17-11-8-13-4-2-3-5-16(13)19(17)21/h2-11H,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide?
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide has a molecular weight of 413.27 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24605889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).