3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide

C17H16ClNO2 — CID 4796977

IUPAC3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccccc1CNC(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-21-16-8-3-2-6-14(16)12-19-17(20)10-9-13-5-4-7-15(18)11-13/h2-11H,12H2,1H3,(H,19,20)
InChIKeyJYLZOEIEIOABOL-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.68
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide

3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 4796977) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
PubChem CID4796977
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccccc1CNC(=O)C=Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-21-16-8-3-2-6-14(16)12-19-17(20)10-9-13-5-4-7-15(18)11-13/h2-11H,12H2,1H3,(H,19,20)
InChIKeyJYLZOEIEIOABOL-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.68
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)-3-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 115342604
3-(3-chlorophenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]prop-2-enamide
CID 76884702
N-[(2-methoxyphenyl)methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 74509472
(E)-N-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2679732
(E)-3-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 24614000
(E)-N-[(2-methoxyphenyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 9114802
3-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 896013
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(Z)-4-[(2-methoxyphenyl)methylamino]-4-oxobut-2-enoic acid
CID 45100336
(E)-3-(3-chlorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 35955552
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
(E)-3-(3-chlorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481219

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide (CID 4796977) is 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide is COc1ccccc1CNC(=O)C=Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is JYLZOEIEIOABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-16-8-3-2-6-14(16)12-19-17(20)10-9-13-5-4-7-15(18)11-13/h2-11H,12H2,1H3,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide?
3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 4796977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).