[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

C19H17Cl2N2O2+ — CID 8696091

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O2/c20-14-8-4-9-15(18(14)21)23-17(24)12-22-19(16-10-5-11-25-16)13-6-2-1-3-7-13/h1-11,19,22H,12H2,(H,23,24)/p+1/t19-/m0/s1
InChIKeyQEFVCQMGDHGVDG-IBGZPJMESA-O
MW376.26 g/mol
LogP3.88
Rot. Bonds6

About [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium

[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8696091) has the molecular formula C19H17Cl2N2O2+ and a molecular weight of 376.26 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8696091
Molecular FormulaC19H17Cl2N2O2+
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
SMILESO=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2N2O2/c20-14-8-4-9-15(18(14)21)23-17(24)12-22-19(16-10-5-11-25-16)13-6-2-1-3-7-13/h1-11,19,22H,12H2,(H,23,24)/p+1/t19-/m0/s1
InChIKeyQEFVCQMGDHGVDG-IBGZPJMESA-O
XLogP3.88
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8918435
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756043
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755693
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8695957
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
CID 8696199
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[2-(2,3-dichloroanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771773
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755619
benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2534796

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium (CID 8696091) is [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium is O=C(C[NH2+][C@@H](c1ccccc1)c1ccco1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is QEFVCQMGDHGVDG-IBGZPJMESA-O. The full InChI is InChI=1S/C19H16Cl2N2O2/c20-14-8-4-9-15(18(14)21)23-17(24)12-22-19(16-10-5-11-25-16)13-6-2-1-3-7-13/h1-11,19,22H,12H2,(H,23,24)/p+1/t19-/m0/s1.
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium?
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 376.26 g/mol, XLogP of 3.88, 6 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]-[(S)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8696091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).