N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide

C18H19BrN2O3 — CID 1013859

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H19BrN2O3/c1-12-10-14(19)4-9-17(12)24-11-18(23)20-15-5-7-16(8-6-15)21(3)13(2)22/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKQRRHSCEUJDRTN-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.76
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide (PubChem CID 1013859) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide
PubChem CID1013859
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H19BrN2O3/c1-12-10-14(19)4-9-17(12)24-11-18(23)20-15-5-7-16(8-6-15)21(3)13(2)22/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKQRRHSCEUJDRTN-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(acetylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 683793
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 729609
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(2-methylphenoxy)acetamide
CID 6458731
2-{4-bromo-2-[(cyclohexylamino)methyl]phenoxy}-N-(2-phenylethyl)acetamide
CID 2242388
N-[(5-bromo-2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 1288834
N-[4-(dimethylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 645504
2-(4-bromo-2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 803111
2-(4-bromo-2-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 803500
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 880833
2-[4-(acetylamino)phenoxy]-N-benzylacetamide
CID 894364
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenylacetamide
CID 972563

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide (CID 1013859) is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide is CC(=O)N(C)c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide?
The InChIKey is KQRRHSCEUJDRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-10-14(19)4-9-17(12)24-11-18(23)20-15-5-7-16(8-6-15)21(3)13(2)22/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-bromo-2-methylphenoxy)acetamide is sourced from PubChem (CID 1013859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).