(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

C16H14ClNO2 — CID 667594

IUPAC(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
InChIKeyRYAMDQKWNKKFHD-JXMROGBWSA-N
MW287.75 g/mol
LogP4.00
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide (PubChem CID 667594) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
PubChem CID667594
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
InChIKeyRYAMDQKWNKKFHD-JXMROGBWSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 54.00
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)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide (CID 667594) is (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide is COc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is RYAMDQKWNKKFHD-JXMROGBWSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 287.75 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 667594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).