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

C16H14ClNO2 — CID 773591

IUPAC(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-20-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17/h2-11H,1H3,(H,18,19)/b11-8+
InChIKeyPUXWTANIEOEJMN-DHZHZOJOSA-N
MW287.75 g/mol
LogP4.00
Rot. Bonds4

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

(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 773591) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID773591
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H14ClNO2/c1-20-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17/h2-11H,1H3,(H,18,19)/b11-8+
InChIKeyPUXWTANIEOEJMN-DHZHZOJOSA-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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Related Compounds

N-[(2-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 920789
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 46485503
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 773591) is (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is PUXWTANIEOEJMN-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-20-13-9-6-12(7-10-13)8-11-16(19)18-15-5-3-2-4-14(15)17/h2-11H,1H3,(H,18,19)/b11-8+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-(4-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)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 773591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).