[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium

C20H25ClN3O2+ — CID 9348120

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-15(16-7-5-4-6-8-16)24(3)20(26)14-23(2)13-19(25)22-18-11-9-17(21)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeyNSFLHXHEWZLWNE-OAHLLOKOSA-O
MW374.89 g/mol
LogP2.01
Rot. Bonds7

About [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium

[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium (PubChem CID 9348120) has the molecular formula C20H25ClN3O2+ and a molecular weight of 374.89 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
PubChem CID9348120
Molecular FormulaC20H25ClN3O2+
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-15(16-7-5-4-6-8-16)24(3)20(26)14-23(2)13-19(25)22-18-11-9-17(21)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeyNSFLHXHEWZLWNE-OAHLLOKOSA-O
XLogP2.01
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 9348195
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium
CID 8910070
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium
CID 9167007
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 9167151
2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 9347465
N-(3,4-dichlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348587
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711960
N-[4-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylcarbamoyl]amino]phenyl]-3-methylbutanamide
CID 51945831
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]amino]acetamide
CID 9348198
[2-(4-chloroanilino)-2-oxoethyl]-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-methylazanium
CID 9166623
[2-[benzyl(methyl)amino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588781

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium (CID 9348120) is [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium is C[C@H](c1ccccc1)N(C)C(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is NSFLHXHEWZLWNE-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H24ClN3O2/c1-15(16-7-5-4-6-8-16)24(3)20(26)14-23(2)13-19(25)22-18-11-9-17(21)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,22,25)/p+1/t15-/m1/s1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium?
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 374.89 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9348120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).