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

C16H14ClNO — CID 2598217

IUPAC(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H14ClNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,18,19)/b10-9+
InChIKeyJSLKMBWLOJDPSS-MDZDMXLPSA-N
MW271.75 g/mol
LogP3.67
Rot. Bonds4

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

(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide (PubChem CID 2598217) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
PubChem CID2598217
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H14ClNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,18,19)/b10-9+
InChIKeyJSLKMBWLOJDPSS-MDZDMXLPSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.67
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)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide (CID 2598217) is (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide?
The InChIKey is JSLKMBWLOJDPSS-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-8-4-7-13(11-15)9-10-16(19)18-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,18,19)/b10-9+.
What are the key properties of (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide?
(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide has a molecular weight of 271.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 2598217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).