(E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C15H14ClNO2 — CID 844662

IUPAC(E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C15H14ClNO2/c1-10-3-5-12(9-14(10)16)17-15(18)8-7-13-6-4-11(2)19-13/h3-9H,1-2H3,(H,17,18)/b8-7+
InChIKeyNPWICKYQYXIBRY-BQYQJAHWSA-N
MW275.74 g/mol
LogP4.20
Rot. Bonds3

About (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 844662) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID844662
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C15H14ClNO2/c1-10-3-5-12(9-14(10)16)17-15(18)8-7-13-6-4-11(2)19-13/h3-9H,1-2H3,(H,17,18)/b8-7+
InChIKeyNPWICKYQYXIBRY-BQYQJAHWSA-N
XLogP4.20
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 844662) is (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc(C)c(Cl)c2)o1.
What is the InChIKey of (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is NPWICKYQYXIBRY-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-3-5-12(9-14(10)16)17-15(18)8-7-13-6-4-11(2)19-13/h3-9H,1-2H3,(H,17,18)/b8-7+.
What are the key properties of (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-4-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 844662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).