[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium

C23H23Cl2N2O3+ — CID 2407048

IUPAC[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+][C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC
InChIInChI=1S/C23H22Cl2N2O3/c1-29-20-9-8-15(10-21(20)30-2)14-26-22(16-6-4-3-5-7-16)23(28)27-19-12-17(24)11-18(25)13-19/h3-13,22,26H,14H2,1-2H3,(H,27,28)/p+1/t22-/m0/s1
InChIKeyCGMWPNWPRYIIOC-QFIPXVFZSA-O
MW446.35 g/mol
LogP4.45
Rot. Bonds8

About [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium (PubChem CID 2407048) has the molecular formula C23H23Cl2N2O3+ and a molecular weight of 446.35 g/mol. Its IUPAC name is [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium
PubChem CID2407048
Molecular FormulaC23H23Cl2N2O3+
Molecular Weight446.35 g/mol
Exact Mass445.11
IUPAC Name[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+][C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC
InChIInChI=1S/C23H22Cl2N2O3/c1-29-20-9-8-15(10-21(20)30-2)14-26-22(16-6-4-3-5-7-16)23(28)27-19-12-17(24)11-18(25)13-19/h3-13,22,26H,14H2,1-2H3,(H,27,28)/p+1/t22-/m0/s1
InChIKeyCGMWPNWPRYIIOC-QFIPXVFZSA-O
XLogP4.45
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]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

[(1S)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(3,4-dimethoxyphenyl)ethyl]azanium
CID 2462430
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
N-[(4-chlorophenyl)methyl]-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]propanamide
CID 133237597
bis[[3-(3,4-dimethoxyphenyl)-1-phenylpropyl]amino] 2,3-dihydroxybutanedioate
CID 174502018
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674090
2-(2-methoxyphenoxy)ethyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 8515643
[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium
CID 8852443
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42014676
3-(3,4-dimethoxyphenyl)-2-phenylpropanehydrazide
CID 12722073
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium?
The IUPAC name of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium (CID 2407048) is [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium.
What is the SMILES notation for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium?
The canonical SMILES for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium is COc1ccc(C[NH2+][C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC.
What is the InChIKey of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium?
The InChIKey is CGMWPNWPRYIIOC-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H22Cl2N2O3/c1-29-20-9-8-15(10-21(20)30-2)14-26-22(16-6-4-3-5-7-16)23(28)27-19-12-17(24)11-18(25)13-19/h3-13,22,26H,14H2,1-2H3,(H,27,28)/p+1/t22-/m0/s1.
What are the key properties of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium?
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium has a molecular weight of 446.35 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium is sourced from PubChem (CID 2407048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).