3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide

C16H13Cl2NO — CID 732081

IUPAC3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-11-4-2-5-12(10-11)19-16(20)9-8-13-14(17)6-3-7-15(13)18/h2-10H,1H3,(H,19,20)
InChIKeyMHOPKKLOWVRALE-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.95
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide

3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 732081) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID732081
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCc1cccc(NC(=O)C=Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H13Cl2NO/c1-11-4-2-5-12(10-11)19-16(20)9-8-13-14(17)6-3-7-15(13)18/h2-10H,1H3,(H,19,20)
InChIKeyMHOPKKLOWVRALE-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.95
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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Related Compounds

3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 8961643
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
methyl N-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenyl]carbamate
CID 55804764
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 6031428
(E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 896275
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
3-(2,6-dichlorophenyl)-N-[4-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 3575829
3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 4198574
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 4224887

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide (CID 732081) is 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide is Cc1cccc(NC(=O)C=Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is MHOPKKLOWVRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-11-4-2-5-12(10-11)19-16(20)9-8-13-14(17)6-3-7-15(13)18/h2-10H,1H3,(H,19,20).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide?
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 306.19 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 732081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).