3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide

C20H16N2O4 — CID 804548

IUPAC3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
SMILESO=C(C=Cc1ccco1)Nc1cccc(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C20H16N2O4/c23-17-7-2-6-16(13-17)22-20(25)14-4-1-5-15(12-14)21-19(24)10-9-18-8-3-11-26-18/h1-13,23H,(H,21,24)(H,22,25)
InChIKeyZALUQFHALPZYEQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.89
Rot. Bonds5

About 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide

3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide (PubChem CID 804548) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
PubChem CID804548
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
SMILESO=C(C=Cc1ccco1)Nc1cccc(C(=O)Nc2cccc(O)c2)c1
InChIInChI=1S/C20H16N2O4/c23-17-7-2-6-16(13-17)22-20(25)14-4-1-5-15(12-14)21-19(24)10-9-18-8-3-11-26-18/h1-13,23H,(H,21,24)(H,22,25)
InChIKeyZALUQFHALPZYEQ-UHFFFAOYSA-N
XLogP3.89
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.89
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

3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
3-chloro-N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]benzamide
CID 1007741
methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 1343643
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(3-methylphenyl)benzamide
CID 8874178
N-[(3-acetylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 884938
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide (CID 804548) is 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide is O=C(C=Cc1ccco1)Nc1cccc(C(=O)Nc2cccc(O)c2)c1.
What is the InChIKey of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide?
The InChIKey is ZALUQFHALPZYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-17-7-2-6-16(13-17)22-20(25)14-4-1-5-15(12-14)21-19(24)10-9-18-8-3-11-26-18/h1-13,23H,(H,21,24)(H,22,25).
What are the key properties of 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide?
3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide has a molecular weight of 348.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 804548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).