(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide

C14H12ClNO2 — CID 963823

IUPAC(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1c(Cl)cccc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H12ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2-9H,1H3,(H,16,17)/b8-7+
InChIKeyANNGIRUYTHDFCF-BQYQJAHWSA-N
MW261.71 g/mol
LogP3.89
Rot. Bonds3

About (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 963823) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID963823
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
SMILESCc1c(Cl)cccc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H12ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2-9H,1H3,(H,16,17)/b8-7+
InChIKeyANNGIRUYTHDFCF-BQYQJAHWSA-N
XLogP3.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.89
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-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide (CID 963823) is (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide is Cc1c(Cl)cccc1NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ANNGIRUYTHDFCF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-10-12(15)5-2-6-13(10)16-14(17)8-7-11-4-3-9-18-11/h2-9H,1H3,(H,16,17)/b8-7+.
What are the key properties of (E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(3-chloro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 261.71 g/mol, XLogP of 3.89, 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-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 963823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).