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

C15H9Cl2F2NO — CID 76859976

IUPAC3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)Nc1c(F)cccc1F
InChIInChI=1S/C15H9Cl2F2NO/c16-10-4-1-3-9(14(10)17)7-8-13(21)20-15-11(18)5-2-6-12(15)19/h1-8H,(H,20,21)
InChIKeyOYWXDVBICKQGKP-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.92
Rot. Bonds3

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

3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide (PubChem CID 76859976) has the molecular formula C15H9Cl2F2NO and a molecular weight of 328.15 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
PubChem CID76859976
Molecular FormulaC15H9Cl2F2NO
Molecular Weight328.15 g/mol
Exact Mass327.00
IUPAC Name3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Cl)c1Cl)Nc1c(F)cccc1F
InChIInChI=1S/C15H9Cl2F2NO/c16-10-4-1-3-9(14(10)17)7-8-13(21)20-15-11(18)5-2-6-12(15)19/h1-8H,(H,20,21)
InChIKeyOYWXDVBICKQGKP-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.92
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-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 51158962
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429
(E)-N-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 8780485
(Z)-3-(2,3-dichlorophenyl)prop-2-enoic acid
CID 2412390
N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 75842438
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
(E)-3-(2,3-dichlorophenyl)prop-2-enoate
CID 2063719
(2R)-2-[3-(2,3-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972941
3-(2,3-dichlorophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109926
(E)-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]but-2-enoic acid
CID 112746556

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide (CID 76859976) is 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide is O=C(C=Cc1cccc(Cl)c1Cl)Nc1c(F)cccc1F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
The InChIKey is OYWXDVBICKQGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2NO/c16-10-4-1-3-9(14(10)17)7-8-13(21)20-15-11(18)5-2-6-12(15)19/h1-8H,(H,20,21).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide?
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide has a molecular weight of 328.15 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide is sourced from PubChem (CID 76859976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).