[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

C21H21Cl2N2O2+ — CID 8755619

IUPAC[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N2O2/c1-14(17-10-9-16(22)12-18(17)23)25-20(26)13-24-21(19-8-5-11-27-19)15-6-3-2-4-7-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)/p+1/t14-,21+/m1/s1
InChIKeyZZDNYVKBMZSPGS-SZNDQCEHSA-O
MW404.32 g/mol
LogP4.12
Rot. Bonds7

About [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8755619) has the molecular formula C21H21Cl2N2O2+ and a molecular weight of 404.32 g/mol. Its IUPAC name is [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8755619
Molecular FormulaC21H21Cl2N2O2+
Molecular Weight404.32 g/mol
Exact Mass403.10
IUPAC Name[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl2N2O2/c1-14(17-10-9-16(22)12-18(17)23)25-20(26)13-24-21(19-8-5-11-27-19)15-6-3-2-4-7-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)/p+1/t14-,21+/m1/s1
InChIKeyZZDNYVKBMZSPGS-SZNDQCEHSA-O
XLogP4.12
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756017
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8756015
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756517
[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755923
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (CID 8755619) is [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium is C[C@@H](NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is ZZDNYVKBMZSPGS-SZNDQCEHSA-O. The full InChI is InChI=1S/C21H20Cl2N2O2/c1-14(17-10-9-16(22)12-18(17)23)25-20(26)13-24-21(19-8-5-11-27-19)15-6-3-2-4-7-15/h2-12,14,21,24H,13H2,1H3,(H,25,26)/p+1/t14-,21+/m1/s1.
What are the key properties of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 404.32 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8755619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).