(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide

C21H16BrNO3 — CID 7916408

IUPAC(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO3/c1-13(21(24)23-15-8-6-14(22)7-9-15)25-16-10-11-20-18(12-16)17-4-2-3-5-19(17)26-20/h2-13H,1H3,(H,23,24)/t13-/m1/s1
InChIKeyLVMQPNNCZNWYDL-CYBMUJFWSA-N
MW410.27 g/mol
LogP5.75
Rot. Bonds4

About (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide

(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide (PubChem CID 7916408) has the molecular formula C21H16BrNO3 and a molecular weight of 410.27 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide
PubChem CID7916408
Molecular FormulaC21H16BrNO3
Molecular Weight410.27 g/mol
Exact Mass409.03
IUPAC Name(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide
SMILESC[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO3/c1-13(21(24)23-15-8-6-14(22)7-9-15)25-16-10-11-20-18(12-16)17-4-2-3-5-19(17)26-20/h2-13H,1H3,(H,23,24)/t13-/m1/s1
InChIKeyLVMQPNNCZNWYDL-CYBMUJFWSA-N
XLogP5.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.27
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-dibenzofuran-2-yloxypropanamide
CID 30545915
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
N-dibenzofuran-3-yl-2-(3,4-dimethylphenoxy)propanamide
CID 133211026
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850
(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133234650
(2R)-N-dibenzofuran-3-yl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100553732
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide (CID 7916408) is (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide is C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide?
The InChIKey is LVMQPNNCZNWYDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H16BrNO3/c1-13(21(24)23-15-8-6-14(22)7-9-15)25-16-10-11-20-18(12-16)17-4-2-3-5-19(17)26-20/h2-13H,1H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide?
(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide has a molecular weight of 410.27 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide is sourced from PubChem (CID 7916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).