cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium

C18H18Cl2FN2O+ — CID 8977686

IUPACcyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccccc1F)C1CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2FN2O/c19-13-5-8-15(20)17(9-13)22-18(24)11-23(14-6-7-14)10-12-3-1-2-4-16(12)21/h1-5,8-9,14H,6-7,10-11H2,(H,22,24)/p+1
InChIKeyPMJYGFBMVRKYLP-UHFFFAOYSA-O
MW368.26 g/mol
LogP3.32
Rot. Bonds6

About cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium

cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium (PubChem CID 8977686) has the molecular formula C18H18Cl2FN2O+ and a molecular weight of 368.26 g/mol. Its IUPAC name is cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
PubChem CID8977686
Molecular FormulaC18H18Cl2FN2O+
Molecular Weight368.26 g/mol
Exact Mass367.08
IUPAC Namecyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccccc1F)C1CC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2FN2O/c19-13-5-8-15(20)17(9-13)22-18(24)11-23(14-6-7-14)10-12-3-1-2-4-16(12)21/h1-5,8-9,14H,6-7,10-11H2,(H,22,24)/p+1
InChIKeyPMJYGFBMVRKYLP-UHFFFAOYSA-O
XLogP3.32
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977699
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977593
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9034874
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035345
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8978211
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 113162306
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium (CID 8977686) is cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium is O=C(C[NH+](Cc1ccccc1F)C1CC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The InChIKey is PMJYGFBMVRKYLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17Cl2FN2O/c19-13-5-8-15(20)17(9-13)22-18(24)11-23(14-6-7-14)10-12-3-1-2-4-16(12)21/h1-5,8-9,14H,6-7,10-11H2,(H,22,24)/p+1.
What are the key properties of cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium has a molecular weight of 368.26 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8977686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).