[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium

C18H20Cl2N3O3+ — CID 8710396

IUPAC[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)COc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19Cl2N3O3/c1-12(13-3-2-4-15(20)9-13)21-10-17(24)22-23-18(25)11-26-16-7-5-14(19)6-8-16/h2-9,12,21H,10-11H2,1H3,(H,22,24)(H,23,25)/p+1/t12-/m0/s1
InChIKeyNUAPXFYTJLIXTH-LBPRGKRZSA-O
MW397.28 g/mol
LogP1.84
Rot. Bonds7

About [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium

[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium (PubChem CID 8710396) has the molecular formula C18H20Cl2N3O3+ and a molecular weight of 397.28 g/mol. Its IUPAC name is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
PubChem CID8710396
Molecular FormulaC18H20Cl2N3O3+
Molecular Weight397.28 g/mol
Exact Mass396.09
IUPAC Name[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NNC(=O)COc1ccc(Cl)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19Cl2N3O3/c1-12(13-3-2-4-15(20)9-13)21-10-17(24)22-23-18(25)11-26-16-7-5-14(19)6-8-16/h2-9,12,21H,10-11H2,1H3,(H,22,24)(H,23,25)/p+1/t12-/m0/s1
InChIKeyNUAPXFYTJLIXTH-LBPRGKRZSA-O
XLogP1.84
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 51.84
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-(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
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]azanium
CID 8599162
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9330926
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9307738
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azanium
CID 8599294
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium (CID 8710396) is [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium is C[C@H]([NH2+]CC(=O)NNC(=O)COc1ccc(Cl)cc1)c1cccc(Cl)c1.
What is the InChIKey of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium?
The InChIKey is NUAPXFYTJLIXTH-LBPRGKRZSA-O. The full InChI is InChI=1S/C18H19Cl2N3O3/c1-12(13-3-2-4-15(20)9-13)21-10-17(24)22-23-18(25)11-26-16-7-5-14(19)6-8-16/h2-9,12,21H,10-11H2,1H3,(H,22,24)(H,23,25)/p+1/t12-/m0/s1.
What are the key properties of [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium?
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium has a molecular weight of 397.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 8710396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).