cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium

C19H20Cl2FN2O+ — CID 8905162

IUPACcyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H19Cl2FN2O/c1-12(19(25)23-18-9-4-14(20)10-17(18)21)24(16-7-8-16)11-13-2-5-15(22)6-3-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,25)/p+1/t12-/m1/s1
InChIKeyGWPBFSFJMMTGHW-GFCCVEGCSA-O
MW382.29 g/mol
LogP3.71
Rot. Bonds6

About cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium

cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 8905162) has the molecular formula C19H20Cl2FN2O+ and a molecular weight of 382.29 g/mol. Its IUPAC name is cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
PubChem CID8905162
Molecular FormulaC19H20Cl2FN2O+
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Namecyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H19Cl2FN2O/c1-12(19(25)23-18-9-4-14(20)10-17(18)21)24(16-7-8-16)11-13-2-5-15(22)6-3-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,25)/p+1/t12-/m1/s1
InChIKeyGWPBFSFJMMTGHW-GFCCVEGCSA-O
XLogP3.71
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium with MolForge

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Related Compounds

[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905141
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905747
(2S)-N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7366747
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)propanamide
CID 18269483
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589755
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589753
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001259

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium (CID 8905162) is cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium is C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+](Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is GWPBFSFJMMTGHW-GFCCVEGCSA-O. The full InChI is InChI=1S/C19H19Cl2FN2O/c1-12(19(25)23-18-9-4-14(20)10-17(18)21)24(16-7-8-16)11-13-2-5-15(22)6-3-13/h2-6,9-10,12,16H,7-8,11H2,1H3,(H,23,25)/p+1/t12-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium?
cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 382.29 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8905162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).