[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium

C15H15Cl3N3O+ — CID 8599294

IUPAC[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ncc(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl3N3O/c1-9(10-3-2-4-11(16)5-10)19-8-14(22)21-15-13(18)6-12(17)7-20-15/h2-7,9,19H,8H2,1H3,(H,20,21,22)/p+1/t9-/m0/s1
InChIKeyCRNWGRYXGJBQDW-VIFPVBQESA-O
MW359.66 g/mol
LogP3.30
Rot. Bonds5

About [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium

[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium (PubChem CID 8599294) has the molecular formula C15H15Cl3N3O+ and a molecular weight of 359.66 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium
PubChem CID8599294
Molecular FormulaC15H15Cl3N3O+
Molecular Weight359.66 g/mol
Exact Mass358.03
IUPAC Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1ncc(Cl)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H14Cl3N3O/c1-9(10-3-2-4-11(16)5-10)19-8-14(22)21-15-13(18)6-12(17)7-20-15/h2-7,9,19H,8H2,1H3,(H,20,21,22)/p+1/t9-/m0/s1
InChIKeyCRNWGRYXGJBQDW-VIFPVBQESA-O
XLogP3.30
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9330926
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9330762
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium (CID 8599294) is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1ncc(Cl)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium?
The InChIKey is CRNWGRYXGJBQDW-VIFPVBQESA-O. The full InChI is InChI=1S/C15H14Cl3N3O/c1-9(10-3-2-4-11(16)5-10)19-8-14(22)21-15-13(18)6-12(17)7-20-15/h2-7,9,19H,8H2,1H3,(H,20,21,22)/p+1/t9-/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium?
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium has a molecular weight of 359.66 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8599294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).