3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide

C23H19BrN2O3 — CID 112826384

IUPAC3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C23H19BrN2O3/c1-14(27)25-20(15-6-8-16(24)9-7-15)13-23(28)26-17-10-11-19-18-4-2-3-5-21(18)29-22(19)12-17/h2-12,20H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyOWMNKVCIGHQLQE-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.55
Rot. Bonds5

About 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide

3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide (PubChem CID 112826384) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide
PubChem CID112826384
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C23H19BrN2O3/c1-14(27)25-20(15-6-8-16(24)9-7-15)13-23(28)26-17-10-11-19-18-4-2-3-5-21(18)29-22(19)12-17/h2-12,20H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyOWMNKVCIGHQLQE-UHFFFAOYSA-N
XLogP5.55
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-3-(4-bromophenyl)-N-(4-pyrazol-1-ylphenyl)propanamide
CID 112823910
3-acetamido-3-(4-bromophenyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112822716
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide (CID 112826384) is 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide?
The InChIKey is OWMNKVCIGHQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-14(27)25-20(15-6-8-16(24)9-7-15)13-23(28)26-17-10-11-19-18-4-2-3-5-21(18)29-22(19)12-17/h2-12,20H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide?
3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide has a molecular weight of 451.32 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-dibenzofuran-3-ylpropanamide is sourced from PubChem (CID 112826384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).