[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium

C23H24ClN2O2+ — CID 8852725

IUPAC[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1ccccc1CNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O2/c1-28-21-10-6-5-9-19(21)15-25-22(27)16-26-23(17-7-3-2-4-8-17)18-11-13-20(24)14-12-18/h2-14,23,26H,15-16H2,1H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyMRPFZTIOVOQIEN-HSZRJFAPSA-O
MW395.91 g/mol
LogP3.32
Rot. Bonds8

About [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium

[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8852725) has the molecular formula C23H24ClN2O2+ and a molecular weight of 395.91 g/mol. Its IUPAC name is [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8852725
Molecular FormulaC23H24ClN2O2+
Molecular Weight395.91 g/mol
Exact Mass395.15
IUPAC Name[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1ccccc1CNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O2/c1-28-21-10-6-5-9-19(21)15-25-22(27)16-26-23(17-7-3-2-4-8-17)18-11-13-20(24)14-12-18/h2-14,23,26H,15-16H2,1H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyMRPFZTIOVOQIEN-HSZRJFAPSA-O
XLogP3.32
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
benzhydryl-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]azanium
CID 7999776
[2-(benzylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392768
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
N-[(4-chlorophenyl)methyl]-N-[2-[(2-methoxyphenyl)methylamino]-2-oxo-1-phenylethyl]butanamide
CID 133237635
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
CID 8599438
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 133237763
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium (CID 8852725) is [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium is COc1ccccc1CNC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is MRPFZTIOVOQIEN-HSZRJFAPSA-O. The full InChI is InChI=1S/C23H23ClN2O2/c1-28-21-10-6-5-9-19(21)15-25-22(27)16-26-23(17-7-3-2-4-8-17)18-11-13-20(24)14-12-18/h2-14,23,26H,15-16H2,1H3,(H,25,27)/p+1/t23-/m1/s1.
What are the key properties of [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
[(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 395.91 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-chlorophenyl)-phenylmethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8852725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).