[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

C19H22ClFN3O2+ — CID 9250367

IUPAC[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H21ClFN3O2/c1-23(12-18(25)22-17-5-3-4-16(21)10-17)13-19(26)24(2)11-14-6-8-15(20)9-7-14/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1
InChIKeyNMXXUCXYVLWTDD-UHFFFAOYSA-O
MW378.86 g/mol
LogP1.59
Rot. Bonds7

About [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9250367) has the molecular formula C19H22ClFN3O2+ and a molecular weight of 378.86 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9250367
Molecular FormulaC19H22ClFN3O2+
Molecular Weight378.86 g/mol
Exact Mass378.14
IUPAC Name[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCN(Cc1ccc(Cl)cc1)C(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H21ClFN3O2/c1-23(12-18(25)22-17-5-3-4-16(21)10-17)13-19(26)24(2)11-14-6-8-15(20)9-7-14/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1
InChIKeyNMXXUCXYVLWTDD-UHFFFAOYSA-O
XLogP1.59
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9253030
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250786
[2-(3-fluoroanilino)-2-oxoethyl]-methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8846623
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250684
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9222316
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846620
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(2,4-difluoroanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658603
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
[2-(3-acetylanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250573
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8785660
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 2658601

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9250367) is [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is CN(Cc1ccc(Cl)cc1)C(=O)C[NH+](C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is NMXXUCXYVLWTDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21ClFN3O2/c1-23(12-18(25)22-17-5-3-4-16(21)10-17)13-19(26)24(2)11-14-6-8-15(20)9-7-14/h3-10H,11-13H2,1-2H3,(H,22,25)/p+1.
What are the key properties of [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 378.86 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9250367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).