N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide

C18H20BrNO3 — CID 55503834

IUPACN-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-12(16-6-4-5-7-17(16)19)20-18(21)13(2)23-15-10-8-14(22-3)9-11-15/h4-13H,1-3H3,(H,20,21)
InChIKeyPVWFTJDDRNYXFE-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.10
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide

N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 55503834) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID55503834
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)NC(C)c2ccccc2Br)cc1
InChIInChI=1S/C18H20BrNO3/c1-12(16-6-4-5-7-17(16)19)20-18(21)13(2)23-15-10-8-14(22-3)9-11-15/h4-13H,1-3H3,(H,20,21)
InChIKeyPVWFTJDDRNYXFE-UHFFFAOYSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 29459815
(2R)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100554032
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
2-(2-bromophenoxy)-N-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]propanamide
CID 71907641
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide (CID 55503834) is N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)NC(C)c2ccccc2Br)cc1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is PVWFTJDDRNYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12(16-6-4-5-7-17(16)19)20-18(21)13(2)23-15-10-8-14(22-3)9-11-15/h4-13H,1-3H3,(H,20,21).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide?
N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 378.27 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 55503834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).