[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C16H18BrN2O+ — CID 2684071

IUPAC[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-12(13-6-3-2-4-7-13)18-11-16(20)19-15-9-5-8-14(17)10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/p+1/t12-/m1/s1
InChIKeyIPZCNIJJXOALIN-GFCCVEGCSA-O
MW334.24 g/mol
LogP2.71
Rot. Bonds5

About [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 2684071) has the molecular formula C16H18BrN2O+ and a molecular weight of 334.24 g/mol. Its IUPAC name is [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID2684071
Molecular FormulaC16H18BrN2O+
Molecular Weight334.24 g/mol
Exact Mass333.06
IUPAC Name[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-12(13-6-3-2-4-7-13)18-11-16(20)19-15-9-5-8-14(17)10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/p+1/t12-/m1/s1
InChIKeyIPZCNIJJXOALIN-GFCCVEGCSA-O
XLogP2.71
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]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

[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[2-(3-acetylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335434
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
[(1S)-1-(4-chlorophenyl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 9336464
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
CID 9336359
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8897914
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9133031
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 2684071) is [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is IPZCNIJJXOALIN-GFCCVEGCSA-O. The full InChI is InChI=1S/C16H17BrN2O/c1-12(13-6-3-2-4-7-13)18-11-16(20)19-15-9-5-8-14(17)10-15/h2-10,12,18H,11H2,1H3,(H,19,20)/p+1/t12-/m1/s1.
What are the key properties of [2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 334.24 g/mol, XLogP of 2.71, 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-phenylethyl]azanium is sourced from PubChem (CID 2684071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).