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

C16H15F4N2O+ — CID 9369639

IUPAC[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F4N2O/c1-9(12-4-2-10(17)6-14(12)19)21-8-16(23)22-11-3-5-13(18)15(20)7-11/h2-7,9,21H,8H2,1H3,(H,22,23)/p+1/t9-/m1/s1
InChIKeyHITPSRFHFQPGPE-SECBINFHSA-O
MW327.30 g/mol
LogP2.51
Rot. Bonds5

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

[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 9369639) has the molecular formula C16H15F4N2O+ and a molecular weight of 327.30 g/mol. Its IUPAC name is [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID9369639
Molecular FormulaC16H15F4N2O+
Molecular Weight327.30 g/mol
Exact Mass327.11
IUPAC Name[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H14F4N2O/c1-9(12-4-2-10(17)6-14(12)19)21-8-16(23)22-11-3-5-13(18)15(20)7-11/h2-7,9,21H,8H2,1H3,(H,22,23)/p+1/t9-/m1/s1
InChIKeyHITPSRFHFQPGPE-SECBINFHSA-O
XLogP2.51
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
CID 9369456
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9368769
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370154

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (CID 9369639) is [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(F)cc1F.
What is the InChIKey of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is HITPSRFHFQPGPE-SECBINFHSA-O. The full InChI is InChI=1S/C16H14F4N2O/c1-9(12-4-2-10(17)6-14(12)19)21-8-16(23)22-11-3-5-13(18)15(20)7-11/h2-7,9,21H,8H2,1H3,(H,22,23)/p+1/t9-/m1/s1.
What are the key properties of [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 327.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9369639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).