cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

C20H22FN2O3+ — CID 8904985

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H21FN2O3/c1-26-20(25)17-4-2-3-5-18(17)22-19(24)13-23(16-10-11-16)12-14-6-8-15(21)9-7-14/h2-9,16H,10-13H2,1H3,(H,22,24)/p+1
InChIKeyUTFBEVXFDAYSPQ-UHFFFAOYSA-O
MW357.41 g/mol
LogP1.80
Rot. Bonds7

About cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium

cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (PubChem CID 8904985) has the molecular formula C20H22FN2O3+ and a molecular weight of 357.41 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
PubChem CID8904985
Molecular FormulaC20H22FN2O3+
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H21FN2O3/c1-26-20(25)17-4-2-3-5-18(17)22-19(24)13-23(16-10-11-16)12-14-6-8-15(21)9-7-14/h2-9,16H,10-13H2,1H3,(H,22,24)/p+1
InChIKeyUTFBEVXFDAYSPQ-UHFFFAOYSA-O
XLogP1.80
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9300267
[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560
methyl 2-[4-(4-fluorophenyl)butanoylamino]benzoate
CID 110356101
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8906702

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (CID 8904985) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is COC(=O)c1ccccc1NC(=O)C[NH+](Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The InChIKey is UTFBEVXFDAYSPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21FN2O3/c1-26-20(25)17-4-2-3-5-18(17)22-19(24)13-23(16-10-11-16)12-14-6-8-15(21)9-7-14/h2-9,16H,10-13H2,1H3,(H,22,24)/p+1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium has a molecular weight of 357.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8904985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).