N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide

C19H21BrN2O2 — CID 113057598

IUPACN-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14-7-9-17(10-8-14)22(15(2)23)12-11-21-19(24)13-16-5-3-4-6-18(16)20/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyGRQOTKRJTDXOKZ-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide

N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide (PubChem CID 113057598) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
PubChem CID113057598
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-14-7-9-17(10-8-14)22(15(2)23)12-11-21-19(24)13-16-5-3-4-6-18(16)20/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyGRQOTKRJTDXOKZ-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-(N-acetyl-4-methylanilino)ethyl]-2,2-diphenylacetamide
CID 113057558
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062202
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052708
N-[2-[N-acetyl-4-(diethylamino)anilino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113062279
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide (CID 113057598) is N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccccc1Br)c1ccc(C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide?
The InChIKey is GRQOTKRJTDXOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-14-7-9-17(10-8-14)22(15(2)23)12-11-21-19(24)13-16-5-3-4-6-18(16)20/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide?
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide has a molecular weight of 389.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide is sourced from PubChem (CID 113057598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).