[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate

C24H18ClNO5 — CID 40733292

IUPAC[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H18ClNO5/c1-15-7-5-6-10-19(15)22(27)30-24-21(20(25)23(28)31-24)26-16-11-13-18(14-12-16)29-17-8-3-2-4-9-17/h2-14,24,26H,1H3/t24-/m1/s1
InChIKeyBLEXJRRHKCGDJC-XMMPIXPASA-N
MW435.86 g/mol
LogP5.39
Rot. Bonds6

About [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate

[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate (PubChem CID 40733292) has the molecular formula C24H18ClNO5 and a molecular weight of 435.86 g/mol. Its IUPAC name is [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate.

Molecular Properties

Compound Name[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate
PubChem CID40733292
Molecular FormulaC24H18ClNO5
Molecular Weight435.86 g/mol
Exact Mass435.09
IUPAC Name[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H18ClNO5/c1-15-7-5-6-10-19(15)22(27)30-24-21(20(25)23(28)31-24)26-16-11-13-18(14-12-16)29-17-8-3-2-4-9-17/h2-14,24,26H,1H3/t24-/m1/s1
InChIKeyBLEXJRRHKCGDJC-XMMPIXPASA-N
XLogP5.39
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-3-(3,4-dimethylanilino)-5-oxo-2H-furan-2-yl] 2-bromobenzoate
CID 46499665
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
bromo 2-methylbenzoate
CID 67185739
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
2-methyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090158
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
[(3S,3aR,6R,6aR)-6-(2-methylbenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylbenzoate
CID 167745304
N,2-dimethyl-5-phenoxybenzamide
CID 135275179
ethane;methane;methyl 2-methylbenzoate
CID 168902289
(2-methylphenyl)-[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 71728715
N-[(2-methylphenyl)methyl]-2-(4-phenoxyanilino)acetamide
CID 108996702

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate?
The IUPAC name of [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate (CID 40733292) is [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate.
What is the SMILES notation for [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate?
The canonical SMILES for [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate is Cc1ccccc1C(=O)O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate?
The InChIKey is BLEXJRRHKCGDJC-XMMPIXPASA-N. The full InChI is InChI=1S/C24H18ClNO5/c1-15-7-5-6-10-19(15)22(27)30-24-21(20(25)23(28)31-24)26-16-11-13-18(14-12-16)29-17-8-3-2-4-9-17/h2-14,24,26H,1H3/t24-/m1/s1.
What are the key properties of [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate?
[(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate has a molecular weight of 435.86 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-chloro-5-oxo-3-(4-phenoxyanilino)-2H-furan-2-yl] 2-methylbenzoate is sourced from PubChem (CID 40733292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).