[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate

C19H13ClFNO5 — CID 90082181

IUPAC[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C19H13ClFNO5/c1-10(23)26-17-15(24)16(12-7-8-14(21)13(20)9-12)27-19(17)22-18(25)11-5-3-2-4-6-11/h2-9,24H,1H3,(H,22,25)
InChIKeyWPHMHFHGWNYNPL-UHFFFAOYSA-N
MW389.77 g/mol
LogP4.62
Rot. Bonds4

About [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate

[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90082181) has the molecular formula C19H13ClFNO5 and a molecular weight of 389.77 g/mol. Its IUPAC name is [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90082181
Molecular FormulaC19H13ClFNO5
Molecular Weight389.77 g/mol
Exact Mass389.05
IUPAC Name[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C19H13ClFNO5/c1-10(23)26-17-15(24)16(12-7-8-14(21)13(20)9-12)27-19(17)22-18(25)11-5-3-2-4-6-11/h2-9,24H,1H3,(H,22,25)
InChIKeyWPHMHFHGWNYNPL-UHFFFAOYSA-N
XLogP4.62
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082257
[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081480
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
2-benzamido-4-(3-chloro-4-fluorophenyl)benzoic acid
CID 67341971
[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082113
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081276
[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081966
[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
CID 90080921
[2-(ethoxycarbonylamino)-4-hydroxy-5-(3-methoxyphenyl)furan-3-yl] acetate
CID 90082253
[5-(4-chloro-3-fluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 90082090
[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
CID 152514048
methyl (2R)-2-[[2-benzamido-5-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2-[4-(3-chloro-4-fluorophenyl)phenyl]propanoate
CID 68868921

Frequently Asked Questions

What is the IUPAC name of [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate (CID 90082181) is [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(NC(=O)c2ccccc2)oc(-c2ccc(F)c(Cl)c2)c1O.
What is the InChIKey of [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is WPHMHFHGWNYNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO5/c1-10(23)26-17-15(24)16(12-7-8-14(21)13(20)9-12)27-19(17)22-18(25)11-5-3-2-4-6-11/h2-9,24H,1H3,(H,22,25).
What are the key properties of [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate?
[2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 389.77 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzamido-5-(3-chloro-4-fluorophenyl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90082181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).