(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

C17H16ClNO2 — CID 966348

IUPAC(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClNO2/c1-12-7-9-16(21-2)15(11-12)19-17(20)10-8-13-5-3-4-6-14(13)18/h3-11H,1-2H3,(H,19,20)/b10-8+
InChIKeyHOQWJAMJOOKREX-CSKARUKUSA-N
MW301.77 g/mol
LogP4.31
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 966348) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID966348
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClNO2/c1-12-7-9-16(21-2)15(11-12)19-17(20)10-8-13-5-3-4-6-14(13)18/h3-11H,1-2H3,(H,19,20)/b10-8+
InChIKeyHOQWJAMJOOKREX-CSKARUKUSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.31
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

(E)-N-(2-methoxy-5-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 9098414
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
(E)-3-(2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 39387847
3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-3-(2-chloro-3-methoxyphenyl)-N-(2-chloro-4-methylphenyl)prop-2-enamide
CID 45051343
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9098331
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
(E)-N-(2-methoxy-5-methylphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-enamide
CID 51057815
3-(2-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 2905603
(E)-N-(2-chloro-4-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7926708

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 966348) is (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1NC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is HOQWJAMJOOKREX-CSKARUKUSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12-7-9-16(21-2)15(11-12)19-17(20)10-8-13-5-3-4-6-14(13)18/h3-11H,1-2H3,(H,19,20)/b10-8+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 966348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).