(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium

C16H15Cl3FN2O+ — CID 2547497

IUPAC(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3FN2O/c1-9(21-8-10-4-2-3-5-14(10)20)16(23)22-15-12(18)6-11(17)7-13(15)19/h2-7,9,21H,8H2,1H3,(H,22,23)/p+1/t9-/m0/s1
InChIKeyICKLUSBKSYFWTG-VIFPVBQESA-O
MW376.67 g/mol
LogP3.88
Rot. Bonds5

About (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium

(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium (PubChem CID 2547497) has the molecular formula C16H15Cl3FN2O+ and a molecular weight of 376.67 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium
PubChem CID2547497
Molecular FormulaC16H15Cl3FN2O+
Molecular Weight376.67 g/mol
Exact Mass375.02
IUPAC Name(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium
SMILESC[C@H]([NH2+]Cc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3FN2O/c1-9(21-8-10-4-2-3-5-14(10)20)16(23)22-15-12(18)6-11(17)7-13(15)19/h2-7,9,21H,8H2,1H3,(H,22,23)/p+1/t9-/m0/s1
InChIKeyICKLUSBKSYFWTG-VIFPVBQESA-O
XLogP3.88
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.67
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]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

2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
(2-chlorophenyl)methyl-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7999379
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4-methylpentanamide
CID 83079399
1-(2,6-dichlorophenyl)-3-[(2-fluorophenyl)methyl]urea
CID 108897575
(2S)-2-amino-N-(2-chloro-6-fluorophenyl)propanamide
CID 104877858
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)propanamide
CID 42978543
2-amino-N-(2,6-difluorophenyl)propanamide
CID 43087644

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium?
The IUPAC name of (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium (CID 2547497) is (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium.
What is the SMILES notation for (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium?
The canonical SMILES for (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium is C[C@H]([NH2+]Cc1ccccc1F)C(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium?
The InChIKey is ICKLUSBKSYFWTG-VIFPVBQESA-O. The full InChI is InChI=1S/C16H14Cl3FN2O/c1-9(21-8-10-4-2-3-5-14(10)20)16(23)22-15-12(18)6-11(17)7-13(15)19/h2-7,9,21H,8H2,1H3,(H,22,23)/p+1/t9-/m0/s1.
What are the key properties of (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium?
(2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium has a molecular weight of 376.67 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-[(2S)-1-oxo-1-(2,4,6-trichloroanilino)propan-2-yl]azanium is sourced from PubChem (CID 2547497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).