N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide

C17H16BrFN2O2 — CID 46598763

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C17H16BrFN2O2/c1-10(12-4-3-5-14(8-12)21-11(2)22)20-17(23)15-9-13(18)6-7-16(15)19/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyBHDUBJZVMHRBFD-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.04
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide

N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide (PubChem CID 46598763) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
PubChem CID46598763
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C17H16BrFN2O2/c1-10(12-4-3-5-14(8-12)21-11(2)22)20-17(23)15-9-13(18)6-7-16(15)19/h3-10H,1-2H3,(H,20,23)(H,21,22)
InChIKeyBHDUBJZVMHRBFD-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide 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

5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
N-[1-(3-aminophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 43297640
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
5-amino-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 61139612
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide (CID 46598763) is N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide is CC(=O)Nc1cccc(C(C)NC(=O)c2cc(Br)ccc2F)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide?
The InChIKey is BHDUBJZVMHRBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-10(12-4-3-5-14(8-12)21-11(2)22)20-17(23)15-9-13(18)6-7-16(15)19/h3-10H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide?
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide has a molecular weight of 379.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide is sourced from PubChem (CID 46598763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).