[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium

C24H26ClN2O+ — CID 9221779

IUPAC[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O/c1-17-8-7-9-18(2)23(17)26-22(28)16-27(3)24(19-10-5-4-6-11-19)20-12-14-21(25)15-13-20/h4-15,24H,16H2,1-3H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyKPPHZMRZGMVLFK-XMMPIXPASA-O
MW393.94 g/mol
LogP4.20
Rot. Bonds6

About [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium

[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9221779) has the molecular formula C24H26ClN2O+ and a molecular weight of 393.94 g/mol. Its IUPAC name is [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9221779
Molecular FormulaC24H26ClN2O+
Molecular Weight393.94 g/mol
Exact Mass393.17
IUPAC Name[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
SMILESCc1cccc(C)c1NC(=O)C[NH+](C)[C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O/c1-17-8-7-9-18(2)23(17)26-22(28)16-27(3)24(19-10-5-4-6-11-19)20-12-14-21(25)15-13-20/h4-15,24H,16H2,1-3H3,(H,26,28)/p+1/t24-/m1/s1
InChIKeyKPPHZMRZGMVLFK-XMMPIXPASA-O
XLogP4.20
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]azanium
CID 9347983
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl]azanium
CID 9347979
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 9335096
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9047418
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8793600
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[(R)-(2-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 7311091
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium (CID 9221779) is [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium is Cc1cccc(C)c1NC(=O)C[NH+](C)[C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is KPPHZMRZGMVLFK-XMMPIXPASA-O. The full InChI is InChI=1S/C24H25ClN2O/c1-17-8-7-9-18(2)23(17)26-22(28)16-27(3)24(19-10-5-4-6-11-19)20-12-14-21(25)15-13-20/h4-15,24H,16H2,1-3H3,(H,26,28)/p+1/t24-/m1/s1.
What are the key properties of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium?
[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 393.94 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9221779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).