2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide

C20H18BrNO2 — CID 133217264

IUPAC2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C20H18BrNO2/c1-14(24-18-11-9-17(21)10-12-18)20(23)22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyHGHHFZJZWJPCMU-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.69
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide

2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 133217264) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID133217264
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C20H18BrNO2/c1-14(24-18-11-9-17(21)10-12-18)20(23)22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyHGHHFZJZWJPCMU-UHFFFAOYSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
2-(4-bromophenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55584253
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
2-(4-bromophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
CID 55596800
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide (CID 133217264) is 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is HGHHFZJZWJPCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-14(24-18-11-9-17(21)10-12-18)20(23)22-13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H,22,23).
What are the key properties of 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 384.27 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 133217264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).