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

C18H20BrNO2 — CID 55431376

IUPAC2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO2/c1-14-4-3-5-17(12-14)22-11-10-20(2)18(21)13-15-6-8-16(19)9-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyVIFGSEGWAUOVPO-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.84
Rot. Bonds6

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

2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 55431376) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID55431376
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C18H20BrNO2/c1-14-4-3-5-17(12-14)22-11-10-20(2)18(21)13-15-6-8-16(19)9-7-15/h3-9,12H,10-11,13H2,1-2H3
InChIKeyVIFGSEGWAUOVPO-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one
CID 105078833

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 55431376) is 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCN(C)C(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is VIFGSEGWAUOVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-14-4-3-5-17(12-14)22-11-10-20(2)18(21)13-15-6-8-16(19)9-7-15/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 362.27 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 55431376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).