3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide

C17H17BrN2O2 — CID 22107830

IUPAC3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC1=CC(=CC=C1)Br)C2=CC=CC=C2
InChIInChI=1S/C17H17BrN2O2/c1-12(21)19-16(13-6-3-2-4-7-13)11-17(22)20-15-9-5-8-14(18)10-15/h2-10,16H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGXJDKNMFJUVCJZ-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.60
Rot. Bonds5

About 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide

3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide (PubChem CID 22107830) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
PubChem CID22107830
Molecular FormulaC17H17BrN2O2
Molecular Weight361.20 g/mol
Exact Mass360.05
IUPAC Name3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC1=CC(=CC=C1)Br)C2=CC=CC=C2
InChIInChI=1S/C17H17BrN2O2/c1-12(21)19-16(13-6-3-2-4-7-13)11-17(22)20-15-9-5-8-14(18)10-15/h2-10,16H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGXJDKNMFJUVCJZ-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity383

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide (CID 22107830) is 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)NC1=CC(=CC=C1)Br)C2=CC=CC=C2.
What is the InChIKey of 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide?
The InChIKey is GXJDKNMFJUVCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-12(21)19-16(13-6-3-2-4-7-13)11-17(22)20-15-9-5-8-14(18)10-15/h2-10,16H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide?
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide has a molecular weight of 361.20 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide is sourced from PubChem (CID 22107830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).