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

C16H16BrF2N2O+ — CID 9369623

IUPAC[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H15BrF2N2O/c1-10(14-6-5-12(18)8-15(14)19)20-9-16(22)21-13-4-2-3-11(17)7-13/h2-8,10,20H,9H2,1H3,(H,21,22)/p+1/t10-/m1/s1
InChIKeyAJXQFNIFEVBXRE-SNVBAGLBSA-O
MW370.22 g/mol
LogP2.99
Rot. Bonds5

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

[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 9369623) has the molecular formula C16H16BrF2N2O+ and a molecular weight of 370.22 g/mol. Its IUPAC name is [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID9369623
Molecular FormulaC16H16BrF2N2O+
Molecular Weight370.22 g/mol
Exact Mass369.04
IUPAC Name[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H15BrF2N2O/c1-10(14-6-5-12(18)8-15(14)19)20-9-16(22)21-13-4-2-3-11(17)7-13/h2-8,10,20H,9H2,1H3,(H,21,22)/p+1/t10-/m1/s1
InChIKeyAJXQFNIFEVBXRE-SNVBAGLBSA-O
XLogP2.99
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369090
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684071
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9368769
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (CID 9369623) is [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(F)cc1F.
What is the InChIKey of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is AJXQFNIFEVBXRE-SNVBAGLBSA-O. The full InChI is InChI=1S/C16H15BrF2N2O/c1-10(14-6-5-12(18)8-15(14)19)20-9-16(22)21-13-4-2-3-11(17)7-13/h2-8,10,20H,9H2,1H3,(H,21,22)/p+1/t10-/m1/s1.
What are the key properties of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 370.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9369623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).