N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide

C18H20BrNO3 — CID 47071365

IUPACN-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H20BrNO3/c1-12-11-14(19)5-10-17(12)20(3)18(21)13(2)23-16-8-6-15(22-4)7-9-16/h5-11,13H,1-4H3
InChIKeyWJESFFBYDRDHJI-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.20
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide

N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide (PubChem CID 47071365) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
PubChem CID47071365
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide
SMILESCOc1ccc(OC(C)C(=O)N(C)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H20BrNO3/c1-12-11-14(19)5-10-17(12)20(3)18(21)13(2)23-16-8-6-15(22-4)7-9-16/h5-11,13H,1-4H3
InChIKeyWJESFFBYDRDHJI-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(4-chlorophenoxy)-N-methylpropanamide
CID 55332635
N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide
CID 15835966
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
2-(6-bromonaphthalen-2-yl)oxypropanoyl chloride
CID 10380881
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
2-(3-bromophenoxy)-N,N-dimethylpropanamide
CID 43085551
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
3-(6-bromonaphthalen-2-yl)oxybutan-2-one
CID 60624745

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide (CID 47071365) is N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide is COc1ccc(OC(C)C(=O)N(C)c2ccc(Br)cc2C)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide?
The InChIKey is WJESFFBYDRDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-12-11-14(19)5-10-17(12)20(3)18(21)13(2)23-16-8-6-15(22-4)7-9-16/h5-11,13H,1-4H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide?
N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide has a molecular weight of 378.27 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(4-methoxyphenoxy)-N-methylpropanamide is sourced from PubChem (CID 47071365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).