[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium

C20H20ClN2O2+ — CID 8696261

IUPAC[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H]([NH2+][C@H](c1ccccc1)c1ccco1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O2/c1-14(20(24)23-17-10-5-9-16(21)13-17)22-19(18-11-6-12-25-18)15-7-3-2-4-8-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19-/m1/s1
InChIKeyZFWWYESEDGMNFL-AUUYWEPGSA-O
MW355.85 g/mol
LogP3.61
Rot. Bonds6

About [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium (PubChem CID 8696261) has the molecular formula C20H20ClN2O2+ and a molecular weight of 355.85 g/mol. Its IUPAC name is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
PubChem CID8696261
Molecular FormulaC20H20ClN2O2+
Molecular Weight355.85 g/mol
Exact Mass355.12
IUPAC Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
SMILESC[C@@H]([NH2+][C@H](c1ccccc1)c1ccco1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN2O2/c1-14(20(24)23-17-10-5-9-16(21)13-17)22-19(18-11-6-12-25-18)15-7-3-2-4-8-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19-/m1/s1
InChIKeyZFWWYESEDGMNFL-AUUYWEPGSA-O
XLogP3.61
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium with MolForge

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Related Compounds

[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755387
[(S)-furan-2-yl(phenyl)methyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 8755385
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696221
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755309
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755189
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 8755457
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
[(2R)-1-amino-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755615
[2-(3-chloroanilino)-2-oxoethyl]-[(1R)-1-(furan-2-yl)ethyl]azanium
CID 8917842
[(R)-furan-2-yl(phenyl)methyl]-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]azanium
CID 8756577

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium (CID 8696261) is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium.
What is the SMILES notation for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The canonical SMILES for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium is C[C@@H]([NH2+][C@H](c1ccccc1)c1ccco1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
The InChIKey is ZFWWYESEDGMNFL-AUUYWEPGSA-O. The full InChI is InChI=1S/C20H19ClN2O2/c1-14(20(24)23-17-10-5-9-16(21)13-17)22-19(18-11-6-12-25-18)15-7-3-2-4-8-15/h2-14,19,22H,1H3,(H,23,24)/p+1/t14-,19-/m1/s1.
What are the key properties of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium?
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium has a molecular weight of 355.85 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(R)-furan-2-yl(phenyl)methyl]azanium is sourced from PubChem (CID 8696261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).