[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

C14H15Cl2N2O2+ — CID 8918435

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C14H14Cl2N2O2/c1-9(12-6-3-7-20-12)17-8-13(19)18-11-5-2-4-10(15)14(11)16/h2-7,9,17H,8H2,1H3,(H,18,19)/p+1/t9-/m1/s1
InChIKeyOEFDNYMNSMRVHF-SECBINFHSA-O
MW314.19 g/mol
LogP2.85
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium

[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (PubChem CID 8918435) has the molecular formula C14H15Cl2N2O2+ and a molecular weight of 314.19 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
PubChem CID8918435
Molecular FormulaC14H15Cl2N2O2+
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccco1
InChIInChI=1S/C14H14Cl2N2O2/c1-9(12-6-3-7-20-12)17-8-13(19)18-11-5-2-4-10(15)14(11)16/h2-7,9,17H,8H2,1H3,(H,18,19)/p+1/t9-/m1/s1
InChIKeyOEFDNYMNSMRVHF-SECBINFHSA-O
XLogP2.85
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8696091
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919194
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918823
[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842
[(1R)-1-(furan-2-yl)ethyl]-[2-(3-iodoanilino)-2-oxoethyl]azanium
CID 8919274
[2-(2,3-dichloroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771773
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[2-(4-ethylanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917889
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 8917988
[(1R)-1-(furan-2-yl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 8918132
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8918378

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium (CID 8918435) is [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1Cl)c1ccco1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
The InChIKey is OEFDNYMNSMRVHF-SECBINFHSA-O. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9(12-6-3-7-20-12)17-8-13(19)18-11-5-2-4-10(15)14(11)16/h2-7,9,17H,8H2,1H3,(H,18,19)/p+1/t9-/m1/s1.
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium?
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium has a molecular weight of 314.19 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium is sourced from PubChem (CID 8918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).