3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide

C17H17BrN2O2 — CID 47004737

IUPAC3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O2/c1-11(13-6-8-15(18)9-7-13)19-17(22)14-4-3-5-16(10-14)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIMWIAFJYDNBPNA-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.90
Rot. Bonds4

About 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide

3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide (PubChem CID 47004737) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
PubChem CID47004737
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O2/c1-11(13-6-8-15(18)9-7-13)19-17(22)14-4-3-5-16(10-14)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChIKeyIMWIAFJYDNBPNA-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

3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
N-[(1R)-1-(4-bromophenyl)ethyl]-3-iodobenzamide
CID 95356863
3-bromo-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328579
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
3-acetamido-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 47004839
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 25438615
3-acetamido-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 40633096
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide (CID 47004737) is 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide is CC(=O)Nc1cccc(C(=O)NC(C)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide?
The InChIKey is IMWIAFJYDNBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11(13-6-8-15(18)9-7-13)19-17(22)14-4-3-5-16(10-14)20-12(2)21/h3-11H,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide?
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide 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 3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 47004737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).