(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide

C24H23FN2O3 — CID 2402948

IUPAC(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)NCCc1ccc(F)cc1)oc1ccccc12
InChIInChI=1S/C24H23FN2O3/c1-15(26-12-11-16-7-9-17(25)10-8-16)24(28)27-20-14-22-19(13-23(20)29-2)18-5-3-4-6-21(18)30-22/h3-10,13-15,26H,11-12H2,1-2H3,(H,27,28)/t15-/m1/s1
InChIKeyXMCCCCGCKFLYEM-OAHLLOKOSA-N
MW406.46 g/mol
LogP4.89
Rot. Bonds7

About (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide

(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 2402948) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID2402948
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)NCCc1ccc(F)cc1)oc1ccccc12
InChIInChI=1S/C24H23FN2O3/c1-15(26-12-11-16-7-9-17(25)10-8-16)24(28)27-20-14-22-19(13-23(20)29-2)18-5-3-4-6-21(18)30-22/h3-10,13-15,26H,11-12H2,1-2H3,(H,27,28)/t15-/m1/s1
InChIKeyXMCCCCGCKFLYEM-OAHLLOKOSA-N
XLogP4.89
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
CID 2402947
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-(thiophen-2-ylmethylamino)propanamide
CID 2415110
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8516163
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612861
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 2402948) is (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@@H](C)NCCc1ccc(F)cc1)oc1ccccc12.
What is the InChIKey of (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is XMCCCCGCKFLYEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15(26-12-11-16-7-9-17(25)10-8-16)24(28)27-20-14-22-19(13-23(20)29-2)18-5-3-4-6-21(18)30-22/h3-10,13-15,26H,11-12H2,1-2H3,(H,27,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 406.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 2402948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).