(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid

C20H14FNO4 — CID 6480681

IUPAC(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(-c2ccccc2F)o1)NC(=O)c1ccccc1
InChIInChI=1S/C20H14FNO4/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12-
InChIKeyMKPUFNGFXMMNGH-ATVHPVEESA-N
MW351.33 g/mol
LogP3.94
Rot. Bonds5

About (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid

(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid (PubChem CID 6480681) has the molecular formula C20H14FNO4 and a molecular weight of 351.33 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
PubChem CID6480681
Molecular FormulaC20H14FNO4
Molecular Weight351.33 g/mol
Exact Mass351.09
IUPAC Name(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
SMILESO=C(O)/C(=C/c1ccc(-c2ccccc2F)o1)NC(=O)c1ccccc1
InChIInChI=1S/C20H14FNO4/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12-
InChIKeyMKPUFNGFXMMNGH-ATVHPVEESA-N
XLogP3.94
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839852
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
CID 58631623
2-[(3-aminobenzoyl)amino]-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 76823927
2-benzamido-3-(2-fluorophenyl)prop-2-enoic acid
CID 744037
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
CID 74063736
(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148076
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945
N-[1-[5-(2-chlorophenyl)furan-2-yl]-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 2873775
2-acetamido-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 4768027
(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
CID 761263

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid (CID 6480681) is (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid is O=C(O)/C(=C/c1ccc(-c2ccccc2F)o1)NC(=O)c1ccccc1.
What is the InChIKey of (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is MKPUFNGFXMMNGH-ATVHPVEESA-N. The full InChI is InChI=1S/C20H14FNO4/c21-16-9-5-4-8-15(16)18-11-10-14(26-18)12-17(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b17-12-.
What are the key properties of (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid?
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 351.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 6480681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).