(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one

C18H15NO2 — CID 177371968

IUPAC(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one
SMILESCc1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H15NO2/c1-13-6-8-15(9-7-13)19-11-10-16(20)18-12-14-4-2-3-5-17(14)21-18/h2-12,19H,1H3/b11-10+
InChIKeyBFUVPEQVRKZHOJ-ZHACJKMWSA-N
MW277.32 g/mol
LogP4.55
Rot. Bonds4

About (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one

(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one (PubChem CID 177371968) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one
PubChem CID177371968
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one
SMILESCc1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H15NO2/c1-13-6-8-15(9-7-13)19-11-10-16(20)18-12-14-4-2-3-5-17(14)21-18/h2-12,19H,1H3/b11-10+
InChIKeyBFUVPEQVRKZHOJ-ZHACJKMWSA-N
XLogP4.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.55
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

3-[(E)-3-(4-chloroanilino)prop-2-enoyl]chromen-2-one
CID 175672888
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
4-hydroxy-3-[(E)-3-(4-methylanilino)prop-2-enoyl]chromen-2-one
CID 139238888
1-(1-benzofuran-2-yl)ethanone;molecular hydrogen;toluene;dihydrate
CID 142129811
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
1-(1-benzofuran-2-yl)-3-(4-tert-butylphenyl)prop-2-en-1-one
CID 3972941
1-(1-benzofuran-2-yl)ethanone
CID 15435
(E)-3-(4-methylanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2210959
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
(E)-1-benzo[e][1]benzofuran-2-yl-3-(4-methylphenyl)prop-2-en-1-one
CID 139233689
1-(1-benzofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4041105

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one?
The IUPAC name of (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one (CID 177371968) is (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one?
The canonical SMILES for (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one is Cc1ccc(N/C=C/C(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one?
The InChIKey is BFUVPEQVRKZHOJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H15NO2/c1-13-6-8-15(9-7-13)19-11-10-16(20)18-12-14-4-2-3-5-17(14)21-18/h2-12,19H,1H3/b11-10+.
What are the key properties of (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one?
(E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one has a molecular weight of 277.32 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-benzofuran-2-yl)-3-(4-methylanilino)prop-2-en-1-one is sourced from PubChem (CID 177371968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).