[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium

C17H20ClN2O2+ — CID 9307738

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-12(13-5-3-6-14(18)9-13)19-11-17(21)20-15-7-4-8-16(10-15)22-2/h3-10,12,19H,11H2,1-2H3,(H,20,21)/p+1/t12-/m1/s1
InChIKeyOOHDEEVTQGMSNW-GFCCVEGCSA-O
MW319.81 g/mol
LogP2.61
Rot. Bonds6

About [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium

[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium (PubChem CID 9307738) has the molecular formula C17H20ClN2O2+ and a molecular weight of 319.81 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
PubChem CID9307738
Molecular FormulaC17H20ClN2O2+
Molecular Weight319.81 g/mol
Exact Mass319.12
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
SMILESCOc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-12(13-5-3-6-14(18)9-13)19-11-17(21)20-15-7-4-8-16(10-15)22-2/h3-10,12,19H,11H2,1-2H3,(H,20,21)/p+1/t12-/m1/s1
InChIKeyOOHDEEVTQGMSNW-GFCCVEGCSA-O
XLogP2.61
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898185
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9253921
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9330926
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9377468
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9330762
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium (CID 9307738) is [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium is COc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
The InChIKey is OOHDEEVTQGMSNW-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H19ClN2O2/c1-12(13-5-3-6-14(18)9-13)19-11-17(21)20-15-7-4-8-16(10-15)22-2/h3-10,12,19H,11H2,1-2H3,(H,20,21)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium has a molecular weight of 319.81 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9307738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).