N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide

C21H18BrNO2 — CID 53494860

IUPACN-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C21H18BrNO2/c1-14(24)23-20(17-7-4-8-19(22)12-17)13-21(25)18-10-9-15-5-2-3-6-16(15)11-18/h2-12,20H,13H2,1H3,(H,23,24)
InChIKeyLDCVOUABGXBNQW-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.05
Rot. Bonds5

About N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide

N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide (PubChem CID 53494860) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide
PubChem CID53494860
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC NameN-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1
InChIInChI=1S/C21H18BrNO2/c1-14(24)23-20(17-7-4-8-19(22)12-17)13-21(25)18-10-9-15-5-2-3-6-16(15)11-18/h2-12,20H,13H2,1H3,(H,23,24)
InChIKeyLDCVOUABGXBNQW-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide (CID 53494860) is N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide?
The InChIKey is LDCVOUABGXBNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c1-14(24)23-20(17-7-4-8-19(22)12-17)13-21(25)18-10-9-15-5-2-3-6-16(15)11-18/h2-12,20H,13H2,1H3,(H,23,24).
What are the key properties of N-[1-(3-bromophenyl)-3-naphthalen-2-yl-3-oxopropyl]acetamide?
N-[1-(3-bromophenyl)-3-naphthalen-2-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-2-yl-3-oxopropyl]acetamide is sourced from PubChem (CID 53494860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).