[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate

C22H22FNO3 — CID 55540922

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1CC1c1ccc(F)cc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C22H22FNO3/c23-17-10-8-14(9-11-17)18-12-19(18)22(26)27-13-20(25)24-21(16-6-7-16)15-4-2-1-3-5-15/h1-5,8-11,16,18-19,21H,6-7,12-13H2,(H,24,25)
InChIKeyKGDAXAYSGXZJQB-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.74
Rot. Bonds7

About [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 55540922) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID55540922
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(COC(=O)C1CC1c1ccc(F)cc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C22H22FNO3/c23-17-10-8-14(9-11-17)18-12-19(18)22(26)27-13-20(25)24-21(16-6-7-16)15-4-2-1-3-5-15/h1-5,8-11,16,18-19,21H,6-7,12-13H2,(H,24,25)
InChIKeyKGDAXAYSGXZJQB-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 55524851
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55525250
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249
N-[cyclopropyl(phenyl)methyl]-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 110891903
2-[[cyclopropyl(phenyl)methyl]amino]oxyacetamide
CID 112672575
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 55477305
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate (CID 55540922) is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate is O=C(COC(=O)C1CC1c1ccc(F)cc1)NC(c1ccccc1)C1CC1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is KGDAXAYSGXZJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-17-10-8-14(9-11-17)18-12-19(18)22(26)27-13-20(25)24-21(16-6-7-16)15-4-2-1-3-5-15/h1-5,8-11,16,18-19,21H,6-7,12-13H2,(H,24,25).
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 55540922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).