3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide

C21H23BrN2O2 — CID 55981804

IUPAC3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC1(c2cccc(Br)c2)CCC1)c1ccccc1
InChIInChI=1S/C21H23BrN2O2/c1-15(25)23-19(16-7-3-2-4-8-16)14-20(26)24-21(11-6-12-21)17-9-5-10-18(22)13-17/h2-5,7-10,13,19H,6,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDKOKCOYWJUJJQE-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.21
Rot. Bonds6

About 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide

3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide (PubChem CID 55981804) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide
PubChem CID55981804
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NC1(c2cccc(Br)c2)CCC1)c1ccccc1
InChIInChI=1S/C21H23BrN2O2/c1-15(25)23-19(16-7-3-2-4-8-16)14-20(26)24-21(11-6-12-21)17-9-5-10-18(22)13-17/h2-5,7-10,13,19H,6,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDKOKCOYWJUJJQE-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide (CID 55981804) is 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NC1(c2cccc(Br)c2)CCC1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide?
The InChIKey is DKOKCOYWJUJJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-15(25)23-19(16-7-3-2-4-8-16)14-20(26)24-21(11-6-12-21)17-9-5-10-18(22)13-17/h2-5,7-10,13,19H,6,11-12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide?
3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide has a molecular weight of 415.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide is sourced from PubChem (CID 55981804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).