4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid

C20H14FNO5 — CID 28678237

IUPAC4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C20H14FNO5/c21-13-3-1-12(2-4-13)18-9-6-15(27-18)7-10-19(24)22-14-5-8-16(20(25)26)17(23)11-14/h1-11,23H,(H,22,24)(H,25,26)/b10-7+
InChIKeyTVQZCXRMCTYWCM-JXMROGBWSA-N
MW367.33 g/mol
LogP4.14
Rot. Bonds5

About 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid

4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid (PubChem CID 28678237) has the molecular formula C20H14FNO5 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
PubChem CID28678237
Molecular FormulaC20H14FNO5
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C20H14FNO5/c21-13-3-1-12(2-4-13)18-9-6-15(27-18)7-10-19(24)22-14-5-8-16(20(25)26)17(23)11-14/h1-11,23H,(H,22,24)(H,25,26)/b10-7+
InChIKeyTVQZCXRMCTYWCM-JXMROGBWSA-N
XLogP4.14
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 28689023
2-hydroxy-4-[[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686416
(E)-N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 17128518
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
4-[3-[5-(3-ethoxy-3-oxopropyl)furan-2-yl]prop-2-enoylamino]-2-hydroxybenzoic acid
CID 4892827
(E)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 43913976
(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 100828766
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 1352340
4-[[(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686539
5-[5-[(1E,4E)-5-[5-(3-carboxy-4-hydroxyphenyl)furan-2-yl]-3-oxopenta-1,4-dienyl]furan-2-yl]-2-hydroxybenzoic acid
CID 54590065
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 3877808
(E)-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 17092833

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid (CID 28678237) is 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid is O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is TVQZCXRMCTYWCM-JXMROGBWSA-N. The full InChI is InChI=1S/C20H14FNO5/c21-13-3-1-12(2-4-13)18-9-6-15(27-18)7-10-19(24)22-14-5-8-16(20(25)26)17(23)11-14/h1-11,23H,(H,22,24)(H,25,26)/b10-7+.
What are the key properties of 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid?
4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 367.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 28678237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).