(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid

C21H14N2O4 — CID 58631623

IUPAC(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
SMILESN#Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)o2)cc1
InChIInChI=1S/C21H14N2O4/c22-13-14-6-8-15(9-7-14)19-11-10-17(27-19)12-18(21(25)26)23-20(24)16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b18-12-
InChIKeyAOJDLSHHVIRLCR-PDGQHHTCSA-N
MW358.35 g/mol
LogP3.67
Rot. Bonds5

About (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid

(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid (PubChem CID 58631623) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
PubChem CID58631623
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid
SMILESN#Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)o2)cc1
InChIInChI=1S/C21H14N2O4/c22-13-14-6-8-15(9-7-14)19-11-10-17(27-19)12-18(21(25)26)23-20(24)16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b18-12-
InChIKeyAOJDLSHHVIRLCR-PDGQHHTCSA-N
XLogP3.67
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-3-[5-(4-propylphenyl)furan-2-yl]prop-2-enoic acid
CID 74063736
(E)-2-[(3-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148090
N-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]benzamide
CID 126020827
(E)-2-[(3,5-dihydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148076
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
(Z)-2-[(4-acetamidobenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 10362945
(Z)-2-benzamido-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoic acid
CID 6480681
(E)-2-[(2-hydroxybenzoyl)amino]-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 22148255
N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 34318326
(Z)-2-cyano-3-[5-(4-cyanophenyl)furan-2-yl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 126229124
N-[(Z)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 124657322
N-[(E)-3-[(2-aminophenyl)methylamino]-3-oxo-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 19057688

Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid (CID 58631623) is (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid is N#Cc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)O)o2)cc1.
What is the InChIKey of (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is AOJDLSHHVIRLCR-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H14N2O4/c22-13-14-6-8-15(9-7-14)19-11-10-17(27-19)12-18(21(25)26)23-20(24)16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b18-12-.
What are the key properties of (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid?
(Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 358.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-benzamido-3-[5-(4-cyanophenyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 58631623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).