[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

C20H23ClFN2O+ — CID 8906692

IUPAC[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN2O/c21-17-3-1-2-15(12-17)10-11-23-20(25)14-24(19-8-9-19)13-16-4-6-18(22)7-5-16/h1-7,12,19H,8-11,13-14H2,(H,23,25)/p+1
InChIKeyHQGNHFVNGIOGLC-UHFFFAOYSA-O
MW361.87 g/mol
LogP2.39
Rot. Bonds8

About [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium

[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 8906692) has the molecular formula C20H23ClFN2O+ and a molecular weight of 361.87 g/mol. Its IUPAC name is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
PubChem CID8906692
Molecular FormulaC20H23ClFN2O+
Molecular Weight361.87 g/mol
Exact Mass361.15
IUPAC Name[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C20H22ClFN2O/c21-17-3-1-2-15(12-17)10-11-23-20(25)14-24(19-8-9-19)13-16-4-6-18(22)7-5-16/h1-7,12,19H,8-11,13-14H2,(H,23,25)/p+1
InChIKeyHQGNHFVNGIOGLC-UHFFFAOYSA-O
XLogP2.39
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8906875
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975823
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8559510
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium
CID 8906925

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium (CID 8906692) is [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)NCCc1cccc(Cl)c1.
What is the InChIKey of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is HQGNHFVNGIOGLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22ClFN2O/c21-17-3-1-2-15(12-17)10-11-23-20(25)14-24(19-8-9-19)13-16-4-6-18(22)7-5-16/h1-7,12,19H,8-11,13-14H2,(H,23,25)/p+1.
What are the key properties of [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium?
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 361.87 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8906692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).