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

C21H17NO4 — CID 6480679

IUPAC(Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid
SMILESCc1ccccc1-c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)o1
InChIInChI=1S/C21H17NO4/c1-14-7-5-6-10-17(14)19-12-11-16(26-19)13-18(21(24)25)22-20(23)15-8-3-2-4-9-15/h2-13H,1H3,(H,22,23)(H,24,25)/b18-13-
InChIKeyCTLDCFURCCWYMH-AQTBWJFISA-N
MW347.37 g/mol
LogP4.11
Rot. Bonds5

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

(Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid (PubChem CID 6480679) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid
PubChem CID6480679
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name(Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid
SMILESCc1ccccc1-c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)o1
InChIInChI=1S/C21H17NO4/c1-14-7-5-6-10-17(14)19-12-11-16(26-19)13-18(21(24)25)22-20(23)15-8-3-2-4-9-15/h2-13H,1H3,(H,22,23)(H,24,25)/b18-13-
InChIKeyCTLDCFURCCWYMH-AQTBWJFISA-N
XLogP4.11
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid?
The IUPAC name of (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid (CID 6480679) is (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid is Cc1ccccc1-c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)o1.
What is the InChIKey of (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid?
The InChIKey is CTLDCFURCCWYMH-AQTBWJFISA-N. The full InChI is InChI=1S/C21H17NO4/c1-14-7-5-6-10-17(14)19-12-11-16(26-19)13-18(21(24)25)22-20(23)15-8-3-2-4-9-15/h2-13H,1H3,(H,22,23)(H,24,25)/b18-13-.
What are the key properties of (Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid?
(Z)-2-benzamido-3-[5-(2-methylphenyl)furan-2-yl]prop-2-enoic acid has a molecular weight of 347.37 g/mol, XLogP of 4.11, 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-methylphenyl)furan-2-yl]prop-2-enoic acid is sourced from PubChem (CID 6480679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).