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

C22H21BrN2O3 — CID 17218734

IUPAC4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C22H21BrN2O3/c1-2-13-24-22(27)16-7-10-17(11-8-16)25-20(26)14-28-19-12-9-15-5-3-4-6-18(15)21(19)23/h3-12H,2,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyRBSMSVLQMDGIFR-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.76
Rot. Bonds7

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

4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide (PubChem CID 17218734) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
PubChem CID17218734
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C22H21BrN2O3/c1-2-13-24-22(27)16-7-10-17(11-8-16)25-20(26)14-28-19-12-9-15-5-3-4-6-18(15)21(19)23/h3-12H,2,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyRBSMSVLQMDGIFR-UHFFFAOYSA-N
XLogP4.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341
N-[4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925252
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
CID 17149335
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide (CID 17218734) is 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide?
The InChIKey is RBSMSVLQMDGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-2-13-24-22(27)16-7-10-17(11-8-16)25-20(26)14-28-19-12-9-15-5-3-4-6-18(15)21(19)23/h3-12H,2,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide?
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide has a molecular weight of 441.33 g/mol, XLogP of 4.76, 7 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-propylbenzamide is sourced from PubChem (CID 17218734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).