[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium

C22H19F2N2O2+ — CID 8710645

IUPAC[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc2oc3ccccc3c2c1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H18F2N2O2/c1-13(14-6-8-18(23)19(24)10-14)25-12-22(27)26-15-7-9-21-17(11-15)16-4-2-3-5-20(16)28-21/h2-11,13,25H,12H2,1H3,(H,26,27)/p+1/t13-/m1/s1
InChIKeyGXBUSLKISIKYOY-CYBMUJFWSA-O
MW381.40 g/mol
LogP4.13
Rot. Bonds5

About [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium

[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium (PubChem CID 8710645) has the molecular formula C22H19F2N2O2+ and a molecular weight of 381.40 g/mol. Its IUPAC name is [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
PubChem CID8710645
Molecular FormulaC22H19F2N2O2+
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc2oc3ccccc3c2c1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H18F2N2O2/c1-13(14-6-8-18(23)19(24)10-14)25-12-22(27)26-15-7-9-21-17(11-15)16-4-2-3-5-20(16)28-21/h2-11,13,25H,12H2,1H3,(H,26,27)/p+1/t13-/m1/s1
InChIKeyGXBUSLKISIKYOY-CYBMUJFWSA-O
XLogP4.13
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]azanium
CID 9377018
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8638737
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium
CID 9376801
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9044003
N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8638826
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 9377059
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium (CID 8710645) is [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccc2oc3ccccc3c2c1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
The InChIKey is GXBUSLKISIKYOY-CYBMUJFWSA-O. The full InChI is InChI=1S/C22H18F2N2O2/c1-13(14-6-8-18(23)19(24)10-14)25-12-22(27)26-15-7-9-21-17(11-15)16-4-2-3-5-20(16)28-21/h2-11,13,25H,12H2,1H3,(H,26,27)/p+1/t13-/m1/s1.
What are the key properties of [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium?
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium has a molecular weight of 381.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 8710645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).