(E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide

C17H16ClNO — CID 700599

IUPAC(E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCc1ccccc1
InChIInChI=1S/C17H16ClNO/c18-16-9-5-4-8-15(16)10-11-17(20)19-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,20)/b11-10+
InChIKeyKOEYZMDJWQLPCX-ZHACJKMWSA-N
MW285.77 g/mol
LogP3.71
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 700599) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID700599
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCc1ccccc1
InChIInChI=1S/C17H16ClNO/c18-16-9-5-4-8-15(16)10-11-17(20)19-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,20)/b11-10+
InChIKeyKOEYZMDJWQLPCX-ZHACJKMWSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide (CID 700599) is (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCCc1ccccc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is KOEYZMDJWQLPCX-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-16-9-5-4-8-15(16)10-11-17(20)19-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,19,20)/b11-10+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 285.77 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 700599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).