N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

C15H14ClNO2 — CID 4810825

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-5-3-12(4-6-13)9-10-17-15(18)8-7-14-2-1-11-19-14/h1-8,11H,9-10H2,(H,17,18)
InChIKeySAMLKOOAYXDROF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide

N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 4810825) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID4810825
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-5-3-12(4-6-13)9-10-17-15(18)8-7-14-2-1-11-19-14/h1-8,11H,9-10H2,(H,17,18)
InChIKeySAMLKOOAYXDROF-UHFFFAOYSA-N
XLogP3.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.31
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 N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide (CID 4810825) is N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is SAMLKOOAYXDROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-5-3-12(4-6-13)9-10-17-15(18)8-7-14-2-1-11-19-14/h1-8,11H,9-10H2,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide?
N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 4810825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).