[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium

C16H17ClFN2O+ — CID 9336359

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-7-13(17)8-6-12)19-10-16(21)20-15-4-2-3-14(18)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1
InChIKeyPLUWXWRYWLDIHD-LLVKDONJSA-O
MW307.78 g/mol
LogP2.74
Rot. Bonds5

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium (PubChem CID 9336359) has the molecular formula C16H17ClFN2O+ and a molecular weight of 307.78 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
PubChem CID9336359
Molecular FormulaC16H17ClFN2O+
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-7-13(17)8-6-12)19-10-16(21)20-15-4-2-3-14(18)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1
InChIKeyPLUWXWRYWLDIHD-LLVKDONJSA-O
XLogP2.74
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 9336464
[2-(3-acetylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335434
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
2-[[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 42913912
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9336391
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium (CID 9336359) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium?
The InChIKey is PLUWXWRYWLDIHD-LLVKDONJSA-O. The full InChI is InChI=1S/C16H16ClFN2O/c1-11(12-5-7-13(17)8-6-12)19-10-16(21)20-15-4-2-3-14(18)9-15/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium has a molecular weight of 307.78 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9336359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).