N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide

C21H18BrNO2 — CID 56658239

IUPACN-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1cccc2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C21H18BrNO2/c1-14(24)23-20(16-8-4-9-17(22)12-16)13-21(25)19-11-5-7-15-6-2-3-10-18(15)19/h2-12,20H,13H2,1H3,(H,23,24)
InChIKeyYGPTXOKRVOAISE-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide

N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide (PubChem CID 56658239) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide
PubChem CID56658239
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC NameN-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1cccc2ccccc12)c1cccc(Br)c1
InChIInChI=1S/C21H18BrNO2/c1-14(24)23-20(16-8-4-9-17(22)12-16)13-21(25)19-11-5-7-15-6-2-3-10-18(15)19/h2-12,20H,13H2,1H3,(H,23,24)
InChIKeyYGPTXOKRVOAISE-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Substituted Benzamide Derivative, 2
CID 44236114
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N-(1-(4-bromobenzyl)piperidin-4-yl)-2-naphthamide
CID 44431481
PLpro-IN-1
CID 1287748
2-Methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide
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CID 44236357
9-Bromo-6-[2-(methylamino)ethyl]benzo[h]isoquinolin-1(2h)-one
CID 15982889
4-bromo-N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]benzamide
CID 16273161
N-[3-(4-benzylpiperidin-1-yl)propyl]-6-bromonaphthalene-2-carboxamide
CID 122188504
N-[(1S)-1-Benzyl-2-[(3-fluoro-2-oxo-propyl)amino]-2-oxo-ethyl]naphthalene-1-carboxamide
CID 127020966
3-Bromo-N-(1-phenylethyl)benzamide
CID 603182

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide (CID 56658239) is N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)c1cccc2ccccc12)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide?
The InChIKey is YGPTXOKRVOAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c1-14(24)23-20(16-8-4-9-17(22)12-16)13-21(25)19-11-5-7-15-6-2-3-10-18(15)19/h2-12,20H,13H2,1H3,(H,23,24).
What are the key properties of N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide?
N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide has a molecular weight of 396.28 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)-3-naphthalen-1-yl-3-oxopropyl]acetamide is sourced from PubChem (CID 56658239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).