3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide

C15H14ClNO3 — CID 165351483

IUPAC3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide
SMILESCc1cccc(Cl)c1OCc1ccc(C=CC(N)=O)o1
InChIInChI=1S/C15H14ClNO3/c1-10-3-2-4-13(16)15(10)19-9-12-6-5-11(20-12)7-8-14(17)18/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyNHSNHEYKCFAHIS-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.32
Rot. Bonds5

About 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide

3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide (PubChem CID 165351483) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide
PubChem CID165351483
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide
SMILESCc1cccc(Cl)c1OCc1ccc(C=CC(N)=O)o1
InChIInChI=1S/C15H14ClNO3/c1-10-3-2-4-13(16)15(10)19-9-12-6-5-11(20-12)7-8-14(17)18/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyNHSNHEYKCFAHIS-UHFFFAOYSA-N
XLogP3.32
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557344
(E)-3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-1-(1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 19556556
(E)-3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543304
(E)-3-[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 170877481
(Z)-3-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1-(1,5-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 19580757
(Z)-3-[5-[(4-propan-2-ylphenoxy)methyl]furan-2-yl]prop-2-enamide
CID 170877458
(E)-3-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
CID 19540938
(E)-1-(3-methylphenyl)-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19570951
(E)-3-[5-[(2,6-dichlorophenoxy)methyl]furan-2-yl]-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 19559081
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
CID 55266499
(E)-1-cyclopropyl-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19558842

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide?
The IUPAC name of 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide (CID 165351483) is 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide.
What is the SMILES notation for 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide?
The canonical SMILES for 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide is Cc1cccc(Cl)c1OCc1ccc(C=CC(N)=O)o1.
What is the InChIKey of 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide?
The InChIKey is NHSNHEYKCFAHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-3-2-4-13(16)15(10)19-9-12-6-5-11(20-12)7-8-14(17)18/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide?
3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide has a molecular weight of 291.73 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl]prop-2-enamide is sourced from PubChem (CID 165351483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).