[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium

C24H24ClN2O2+ — CID 8773845

IUPAC[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium
SMILESCc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)cc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-16-11-12-18(15-20(16)25)26-24(28)23(17-7-3-2-4-8-17)27-21-13-14-29-22-10-6-5-9-19(21)22/h2-12,15,21,23,27H,13-14H2,1H3,(H,26,28)/p+1/t21-,23+/m1/s1
InChIKeyIOKWJPIVYLQJGM-GGAORHGYSA-O
MW407.92 g/mol
LogP4.42
Rot. Bonds5

About [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium

[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium (PubChem CID 8773845) has the molecular formula C24H24ClN2O2+ and a molecular weight of 407.92 g/mol. Its IUPAC name is [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium.

Molecular Properties

Compound Name[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium
PubChem CID8773845
Molecular FormulaC24H24ClN2O2+
Molecular Weight407.92 g/mol
Exact Mass407.15
IUPAC Name[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium
SMILESCc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)cc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-16-11-12-18(15-20(16)25)26-24(28)23(17-7-3-2-4-8-17)27-21-13-14-29-22-10-6-5-9-19(21)22/h2-12,15,21,23,27H,13-14H2,1H3,(H,26,28)/p+1/t21-,23+/m1/s1
InChIKeyIOKWJPIVYLQJGM-GGAORHGYSA-O
XLogP4.42
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium
CID 8773835
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium
CID 8008478
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
CID 2442322
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 2565303
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2539824
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-dimethylazanium
CID 2108164
(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2442837
[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] cyclohexanecarboxylate
CID 3428865
1-N-(3-chloro-4-methylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143173
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30628130
(2S)-N-(3-chloro-4-methylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30739823

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium?
The IUPAC name of [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium (CID 8773845) is [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium.
What is the SMILES notation for [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium?
The canonical SMILES for [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium is Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCOc3ccccc32)c2ccccc2)cc1Cl.
What is the InChIKey of [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium?
The InChIKey is IOKWJPIVYLQJGM-GGAORHGYSA-O. The full InChI is InChI=1S/C24H23ClN2O2/c1-16-11-12-18(15-20(16)25)26-24(28)23(17-7-3-2-4-8-17)27-21-13-14-29-22-10-6-5-9-19(21)22/h2-12,15,21,23,27H,13-14H2,1H3,(H,26,28)/p+1/t21-,23+/m1/s1.
What are the key properties of [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium?
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium has a molecular weight of 407.92 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[(4R)-3,4-dihydro-2H-chromen-4-yl]azanium is sourced from PubChem (CID 8773845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).