[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium

C18H22ClN2O+ — CID 8598858

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-13(15-11-7-8-12-16(15)19)20-17(18(22)21(2)3)14-9-5-4-6-10-14/h4-13,17,20H,1-3H3/p+1/t13-,17-/m1/s1
InChIKeyABIWDPPNYCKXMD-CXAGYDPISA-O
MW317.84 g/mol
LogP2.79
Rot. Bonds5

About [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium (PubChem CID 8598858) has the molecular formula C18H22ClN2O+ and a molecular weight of 317.84 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium
PubChem CID8598858
Molecular FormulaC18H22ClN2O+
Molecular Weight317.84 g/mol
Exact Mass317.14
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O/c1-13(15-11-7-8-12-16(15)19)20-17(18(22)21(2)3)14-9-5-4-6-10-14/h4-13,17,20H,1-3H3/p+1/t13-,17-/m1/s1
InChIKeyABIWDPPNYCKXMD-CXAGYDPISA-O
XLogP2.79
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 8641105
2-amino-2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 83533893
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9045143
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81378293
[(1R)-1-(2-chlorophenyl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 9410215
2,6-dichlorobenzonitrile;N,N-dimethyl-2,2-diphenylacetamide
CID 160825317
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605
3-(2-chlorophenyl)butanoic acid
CID 54775987
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium (CID 8598858) is [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium is C[C@@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is ABIWDPPNYCKXMD-CXAGYDPISA-O. The full InChI is InChI=1S/C18H21ClN2O/c1-13(15-11-7-8-12-16(15)19)20-17(18(22)21(2)3)14-9-5-4-6-10-14/h4-13,17,20H,1-3H3/p+1/t13-,17-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 317.84 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 8598858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).