N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide

C17H18BrNO2 — CID 75871684

IUPACN-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-6-8-16(9-7-12)21-13(2)17(20)19-11-14-4-3-5-15(18)10-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyNFBLBNQHICMEKR-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.84
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide

N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide (PubChem CID 75871684) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
PubChem CID75871684
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO2/c1-12-6-8-16(9-7-12)21-13(2)17(20)19-11-14-4-3-5-15(18)10-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyNFBLBNQHICMEKR-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
CID 46424518
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(3-bromophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 45147940
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2R)-N-(3-bromophenyl)-2-(4-methylphenoxy)propanamide
CID 26157123
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2R)-2-(4-bromophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 27823617

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide (CID 75871684) is N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is NFBLBNQHICMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-6-8-16(9-7-12)21-13(2)17(20)19-11-14-4-3-5-15(18)10-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide?
N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 348.24 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 75871684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).