[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium

C15H17ClN3O3+ — CID 8599162

IUPAC[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-10(11-4-2-5-12(16)8-11)17-9-14(20)18-19-15(21)13-6-3-7-22-13/h2-8,10,17H,9H2,1H3,(H,18,20)(H,19,21)/p+1/t10-/m0/s1
InChIKeyGKTCMCBEMNSUPN-JTQLQIEISA-O
MW322.77 g/mol
LogP1.02
Rot. Bonds5

About [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium

[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium (PubChem CID 8599162) has the molecular formula C15H17ClN3O3+ and a molecular weight of 322.77 g/mol. Its IUPAC name is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
PubChem CID8599162
Molecular FormulaC15H17ClN3O3+
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-10(11-4-2-5-12(16)8-11)17-9-14(20)18-19-15(21)13-6-3-7-22-13/h2-8,10,17H,9H2,1H3,(H,18,20)(H,19,21)/p+1/t10-/m0/s1
InChIKeyGKTCMCBEMNSUPN-JTQLQIEISA-O
XLogP1.02
TPSA87.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070
[(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
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[(1R)-1-(4-bromophenyl)propyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8643284
[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
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 9129533
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970450
[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium (CID 8599162) is [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NNC(=O)c1ccco1)c1cccc(Cl)c1.
What is the InChIKey of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
The InChIKey is GKTCMCBEMNSUPN-JTQLQIEISA-O. The full InChI is InChI=1S/C15H16ClN3O3/c1-10(11-4-2-5-12(16)8-11)17-9-14(20)18-19-15(21)13-6-3-7-22-13/h2-8,10,17H,9H2,1H3,(H,18,20)(H,19,21)/p+1/t10-/m0/s1.
What are the key properties of [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium?
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium has a molecular weight of 322.77 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium is sourced from PubChem (CID 8599162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).