(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium

C19H19ClFN2O2+ — CID 9244103

IUPAC(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
SMILESC[NH+](Cc1c(F)cccc1Cl)CN1C(=O)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c1-22(11-15-16(20)8-5-9-17(15)21)12-23-18(24)10-14(19(23)25)13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3/p+1/t14-/m1/s1
InChIKeyMKTALEGQUYEAKV-CQSZACIVSA-O
MW361.82 g/mol
LogP1.99
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium

(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium (PubChem CID 9244103) has the molecular formula C19H19ClFN2O2+ and a molecular weight of 361.82 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
PubChem CID9244103
Molecular FormulaC19H19ClFN2O2+
Molecular Weight361.82 g/mol
Exact Mass361.11
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
SMILESC[NH+](Cc1c(F)cccc1Cl)CN1C(=O)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C19H18ClFN2O2/c1-22(11-15-16(20)8-5-9-17(15)21)12-23-18(24)10-14(19(23)25)13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3/p+1/t14-/m1/s1
InChIKeyMKTALEGQUYEAKV-CQSZACIVSA-O
XLogP1.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.82
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)methyl-[[(3S)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium
CID 9279325
1-benzyl-3-[(2-chloro-6-fluorophenyl)methyl-methylamino]pyrrolidine-2,5-dione
CID 42897610
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-phenyltetrazol-2-yl)methyl]azanium
CID 9117967
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896316
(2S)-5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 26741923
(2-chloro-6-fluorophenyl)methyl-methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]azanium
CID 9243923
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
(2-chloro-6-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
CID 6938049
(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 98108371
1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61349210
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium (CID 9244103) is (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium is C[NH+](Cc1c(F)cccc1Cl)CN1C(=O)C[C@H](c2ccccc2)C1=O.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
The InChIKey is MKTALEGQUYEAKV-CQSZACIVSA-O. The full InChI is InChI=1S/C19H18ClFN2O2/c1-22(11-15-16(20)8-5-9-17(15)21)12-23-18(24)10-14(19(23)25)13-6-3-2-4-7-13/h2-9,14H,10-12H2,1H3/p+1/t14-/m1/s1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium?
(2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium has a molecular weight of 361.82 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-[[(3R)-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]-methylazanium is sourced from PubChem (CID 9244103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).