N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide

C17H17BrN2O2 — CID 46598923

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-11(13-6-5-7-14(10-13)20-12(2)21)19-17(22)15-8-3-4-9-16(15)18/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyYIALEEFIMIKXMB-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.90
Rot. Bonds4

About N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide

N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide (PubChem CID 46598923) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
PubChem CID46598923
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H17BrN2O2/c1-11(13-6-5-7-14(10-13)20-12(2)21)19-17(22)15-8-3-4-9-16(15)18/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyYIALEEFIMIKXMB-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-5-bromo-2-fluorobenzamide
CID 46598763
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
CID 42960778
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
2-[(2-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 4935078
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide (CID 46598923) is N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide is CC(=O)Nc1cccc(C(C)NC(=O)c2ccccc2Br)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide?
The InChIKey is YIALEEFIMIKXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11(13-6-5-7-14(10-13)20-12(2)21)19-17(22)15-8-3-4-9-16(15)18/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide?
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide has a molecular weight of 361.24 g/mol, XLogP of 3.90, 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]-2-bromobenzamide is sourced from PubChem (CID 46598923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).