(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide

C24H23FN2O3 — CID 8516163

IUPAC(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1)oc1ccccc12
InChIInChI=1S/C24H23FN2O3/c1-15(27(2)14-16-7-6-8-17(25)11-16)24(28)26-20-13-22-19(12-23(20)29-3)18-9-4-5-10-21(18)30-22/h4-13,15H,14H2,1-3H3,(H,26,28)/t15-/m0/s1
InChIKeyHIQUXGUNJLYOQN-HNNXBMFYSA-N
MW406.46 g/mol
LogP5.19
Rot. Bonds6

About (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide

(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 8516163) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID8516163
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1)oc1ccccc12
InChIInChI=1S/C24H23FN2O3/c1-15(27(2)14-16-7-6-8-17(25)11-16)24(28)26-20-13-22-19(12-23(20)29-3)18-9-4-5-10-21(18)30-22/h4-13,15H,14H2,1-3H3,(H,26,28)/t15-/m0/s1
InChIKeyHIQUXGUNJLYOQN-HNNXBMFYSA-N
XLogP5.19
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434107
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434105
(2R)-2-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2402948
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
2-(4-fluorophenyl)ethyl-[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl]azanium
CID 2402947
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 8516163) is (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@H](C)N(C)Cc1cccc(F)c1)oc1ccccc12.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is HIQUXGUNJLYOQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-15(27(2)14-16-7-6-8-17(25)11-16)24(28)26-20-13-22-19(12-23(20)29-3)18-9-4-5-10-21(18)30-22/h4-13,15H,14H2,1-3H3,(H,26,28)/t15-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 406.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 8516163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).