[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

C20H21Cl2N2O3+ — CID 8841698

IUPAC[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESC[C@@H](NC(=O)C[NH+](Cc1ccco1)Cc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O3/c1-14(18-7-6-15(21)10-19(18)22)23-20(25)13-24(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h2-10,14H,11-13H2,1H3,(H,23,25)/p+1/t14-/m1/s1
InChIKeyDCTWAJGRZDYCFJ-CQSZACIVSA-O
MW408.31 g/mol
LogP3.64
Rot. Bonds8

About [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium

[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (PubChem CID 8841698) has the molecular formula C20H21Cl2N2O3+ and a molecular weight of 408.31 g/mol. Its IUPAC name is [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
PubChem CID8841698
Molecular FormulaC20H21Cl2N2O3+
Molecular Weight408.31 g/mol
Exact Mass407.09
IUPAC Name[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium
SMILESC[C@@H](NC(=O)C[NH+](Cc1ccco1)Cc1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O3/c1-14(18-7-6-15(21)10-19(18)22)23-20(25)13-24(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h2-10,14H,11-13H2,1H3,(H,23,25)/p+1/t14-/m1/s1
InChIKeyDCTWAJGRZDYCFJ-CQSZACIVSA-O
XLogP3.64
TPSA59.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
1-[1-(2,4-dichlorophenyl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111022400
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755622
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755619
N-[1-(2,4-dichlorophenyl)ethyl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46681034
N-[1-(2,4-dichlorophenyl)ethyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46694179
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
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
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124102

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The IUPAC name of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium (CID 8841698) is [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium.
What is the SMILES notation for [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The canonical SMILES for [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is C[C@@H](NC(=O)C[NH+](Cc1ccco1)Cc1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
The InChIKey is DCTWAJGRZDYCFJ-CQSZACIVSA-O. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-14(18-7-6-15(21)10-19(18)22)23-20(25)13-24(11-16-4-2-8-26-16)12-17-5-3-9-27-17/h2-10,14H,11-13H2,1H3,(H,23,25)/p+1/t14-/m1/s1.
What are the key properties of [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium?
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium has a molecular weight of 408.31 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium is sourced from PubChem (CID 8841698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).