N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide

C20H15NO5 — CID 53324776

IUPACN-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15NO5/c22-16(9-3-13-4-10-17(23)18(24)12-13)14-5-7-15(8-6-14)21-20(25)19-2-1-11-26-19/h1-12,23-24H,(H,21,25)/b9-3+
InChIKeyOLGRPHRBQGWIFJ-YCRREMRBSA-N
MW349.34 g/mol
LogP3.84
Rot. Bonds5

About N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide

N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide (PubChem CID 53324776) has the molecular formula C20H15NO5 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide
PubChem CID53324776
Molecular FormulaC20H15NO5
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC NameN-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(/C=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H15NO5/c22-16(9-3-13-4-10-17(23)18(24)12-13)14-5-7-15(8-6-14)21-20(25)19-2-1-11-26-19/h1-12,23-24H,(H,21,25)/b9-3+
InChIKeyOLGRPHRBQGWIFJ-YCRREMRBSA-N
XLogP3.84
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]-3,5-difluorobenzamide
CID 53392991
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[3-(4-chlorophenyl)prop-2-enoylamino]phenyl]furan-2-carboxamide
CID 1015757
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
(E)-1-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
CID 14977361
(Z)-3-(3,4-dihydroxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 122707388
N-[4-[[(E)-3-(3,4-dimethylphenyl)-3-oxoprop-1-enyl]amino]phenyl]furan-2-carboxamide
CID 51045899
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide (CID 53324776) is N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide is O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide?
The InChIKey is OLGRPHRBQGWIFJ-YCRREMRBSA-N. The full InChI is InChI=1S/C20H15NO5/c22-16(9-3-13-4-10-17(23)18(24)12-13)14-5-7-15(8-6-14)21-20(25)19-2-1-11-26-19/h1-12,23-24H,(H,21,25)/b9-3+.
What are the key properties of N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide?
N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53324776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).