[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium

C19H21ClFN2O2+ — CID 2549849

IUPAC[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-12(23(3)11-16-17(20)5-4-6-18(16)21)19(25)22-15-9-7-14(8-10-15)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/p+1/t12-/m1/s1
InChIKeyPUTNWCNGCKXTGP-GFCCVEGCSA-O
MW363.84 g/mol
LogP2.72
Rot. Bonds6

About [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium

[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium (PubChem CID 2549849) has the molecular formula C19H21ClFN2O2+ and a molecular weight of 363.84 g/mol. Its IUPAC name is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
PubChem CID2549849
Molecular FormulaC19H21ClFN2O2+
Molecular Weight363.84 g/mol
Exact Mass363.13
IUPAC Name[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H20ClFN2O2/c1-12(23(3)11-16-17(20)5-4-6-18(16)21)19(25)22-15-9-7-14(8-10-15)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/p+1/t12-/m1/s1
InChIKeyPUTNWCNGCKXTGP-GFCCVEGCSA-O
XLogP2.72
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium 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

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 7831679
(2-chloro-6-fluorophenyl)methyl-methyl-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]azanium
CID 2657945
(2-chloro-6-fluorophenyl)methyl-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9042523
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9003362
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251362
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718196
N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582644
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718197
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
(5-chlorothiophen-2-yl)methyl-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9357564

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium (CID 2549849) is [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium is CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+](C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The InChIKey is PUTNWCNGCKXTGP-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H20ClFN2O2/c1-12(23(3)11-16-17(20)5-4-6-18(16)21)19(25)22-15-9-7-14(8-10-15)13(2)24/h4-10,12H,11H2,1-3H3,(H,22,25)/p+1/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium has a molecular weight of 363.84 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2549849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).