N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide

C17H16BrFN2O2 — CID 112998503

IUPACN-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C17H16BrFN2O2/c1-11-2-7-14(9-15(11)18)21-17(23)10-20-16(22)8-12-3-5-13(19)6-4-12/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYVWFDCBORHDBGS-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide

N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 112998503) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
PubChem CID112998503
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc(NC(=O)CNC(=O)Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C17H16BrFN2O2/c1-11-2-7-14(9-15(11)18)21-17(23)10-20-16(22)8-12-3-5-13(19)6-4-12/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYVWFDCBORHDBGS-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 49165568
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 4798945
[2-(3-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253050
N-(3-bromo-4-methylphenyl)-2-(4-fluorophenoxy)acetamide
CID 7818077
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
N-(3-bromo-4-methylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109009001
N-(3-bromo-4-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 62404550
ethyl N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]carbamate
CID 112998523
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N'-(4-bromo-3-methylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948480
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 49335487
N-(3-bromo-4-methylphenyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769211

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide (CID 112998503) is N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide is Cc1ccc(NC(=O)CNC(=O)Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is YVWFDCBORHDBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-11-2-7-14(9-15(11)18)21-17(23)10-20-16(22)8-12-3-5-13(19)6-4-12/h2-7,9H,8,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 379.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 112998503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).